A0A077ZHZ8_TRITR Loading...

Probable RNA-binding protein EIF1AD

AlphaFold DB , UniProt , Accession A0A077ZHZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.6Confident89.6Confident197 Ų197103.1 Ų103.197%0.9750%0.5SS*.  0141.80-72.4-159.2-99.500108.8T5M1-T5 HydrophobicContact SD-CG2 3.95Å
2S89.2Confident89.8Confident66 Ų66103.8 Ų103.846%0.46250%0.502SS..  trans-67.2160.1174.469.10000110.9V4 T5 K6S2-V4 PolarHBondContact O-N 3.46Å; S2-T5 PolarHBondContact O-N 3.08Å; S2-T5 PolarHBondContact OG-N 3.11Å; S2-T5 PolarHBondContact OG-OG1 3.23Å; S2-K6 PolarHBondContact O-N 2.85Å
3I87.9Confident89.9Confident135 Ų13597 Ų9769%0.69247%0.469SS*.Hα-helixtrans-57.4-42176-63171.3000110.2T5 K6 R7I3-T5 PolarHBondContact O-N 2.76Å; I3-K6 PolarHBondContact O-N 3Å; I3-R7 WeakPolarHBondContact O-CB 3.23Å; I3-R7 PolarHBondContact O-N 3.1Å
4V90.7Very high90Very high93 Ų9391.1 Ų91.156%0.56444%0.441SS*.Hα-helixtrans-61.2-46.2178.9-177.80000111.5S2 K6 R7 K8S2-V4 PolarHBondContact O-N 3.46Å; V4-K6 VanDerWaalsContact C-N 3.34Å; V4-K6 PolarHBondContact O-N 3.07Å; V4-R7 PolarHBondContact O-N 2.95Å; V4-K8 WeakPolarHBondContact O-CG 3.46Å; V4-K8 PolarHBondContact O-N 2.93Å; V4-K8 VanDerWaalsContact O-N 3.08Å
5T92.2Very high90Very high71 Ų7191.9 Ų91.944%0.43645%0.447SS..Hα-helixtrans-64.8-40.1177.7-55.60000111.3M1 S2 I3 K8 Y9M1-T5 HydrophobicContact SD-CG2 3.95Å; S2-T5 PolarHBondContact O-N 3.08Å; S2-T5 PolarHBondContact OG-N 3.11Å; S2-T5 PolarHBondContact OG-OG1 3.23Å; I3-T5 PolarHBondContact O-N 2.76Å; T5-K8 PolarHBondContact O-N 3.4Å; T5-Y9 PolarHBondContact O-N 2.81Å; T5-Y9 VanDerWaalsContact O-N 3.1Å
6K90.8Very high90Very high89 Ų8991.4 Ų91.439%0.38745%0.447SS..Hα-helixtrans-65.1-42.8178-170.2170.2-176.8175.50111.8S2 I3 V4 Y9 V10S2-K6 PolarHBondContact O-N 2.85Å; I3-K6 PolarHBondContact O-N 3Å; V4-K6 VanDerWaalsContact C-N 3.34Å; V4-K6 PolarHBondContact O-N 3.07Å; K6-Y9 PolarHBondContact O-N 3.41Å; K6-V10 HydrophobicContact CG-CG2 4.5Å; K6-V10 WeakPolarHBondContact O-CB 3.17Å; K6-V10 VanDerWaalsContact O-CG2 3.26Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.12Å
7R91.6Very high90.1Very high122 Ų12290.2 Ų90.246%0.4644%0.443SS..Hα-helixtrans-57.8-50.2175.1-178.7178170.9-178.1-3111.5I3 V4 Y9 V10 E11I3-R7 WeakPolarHBondContact O-CB 3.23Å; I3-R7 PolarHBondContact O-N 3.1Å; V4-R7 PolarHBondContact O-N 2.95Å; R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 3.13Å; R7-V10 PolarHBondContact O-N 3.2Å; R7-V10 VanDerWaalsContact O-N 3.17Å; R7-E11 HydrophobicContact CG-CG 4.39Å; R7-E11 WeakPolarHBondContact CG-OE1 3.37Å; R7-E11 IonicContact CZ-OE1 2.67Å; R7-E11 IonicContact NE-OE1 3.44Å; R7-E11 PolarHBondContact NE-OE1 2.93Å; R7-E11 IonicContact NH2-OE1 3.3Å; R7-E11 PolarHBondContact NH2-OE1 2.79Å; R7-E11 WeakPolarHBondContact O-CG 3.1Å; R7-E11 PolarHBondContact O-N 3.45Å
8K93Very high90.1Very high141 Ų14190.6 Ų90.661%0.61344%0.442SS*.Hα-helixtrans-57.9-43.2178.4-73.2-177178-1730112.5V4 T5 H12V4-K8 WeakPolarHBondContact O-CG 3.46Å; V4-K8 PolarHBondContact O-N 2.93Å; V4-K8 VanDerWaalsContact O-N 3.08Å; T5-K8 PolarHBondContact O-N 3.4Å; K8-H12 VanDerWaalsContact O-CB 3.29Å; K8-H12 WeakPolarHBondContact O-CB 3.2Å; K8-H12 PolarHBondContact O-N 2.89Å
9Y92.7Very high90.1Very high148 Ų14887.4 Ų87.458%0.5843%0.429SS*.Hα-helixtrans-62.4-45.3177.1179.9-88.4000111.8T5 K6 R7 H12 E13T5-Y9 PolarHBondContact O-N 2.81Å; T5-Y9 VanDerWaalsContact O-N 3.1Å; K6-Y9 PolarHBondContact O-N 3.41Å; R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 3.13Å; Y9-H12 PolarHBondContact O-N 3.3Å; Y9-E13 PolarHBondContact O-N 3.11Å
10V92Very high90.2Very high2 Ų285.1 Ų85.11%0.01242%0.418CS..Hα-helixtrans-66.2-42-179.2168.60000111.8K6 R7 E13 I14 Y57 H60 I61K6-V10 HydrophobicContact CG-CG2 4.5Å; K6-V10 WeakPolarHBondContact O-CB 3.17Å; K6-V10 VanDerWaalsContact O-CG2 3.26Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.12Å; R7-V10 PolarHBondContact O-N 3.2Å; R7-V10 VanDerWaalsContact O-N 3.17Å; V10-E13 PolarHBondContact O-N 3.25Å; V10-I14 PolarHBondContact O-N 3.36Å; V10-Y57 HydrophobicContact CG1-CD1 3.68Å; V10-Y57 HydrophobicContact CG1-CE1 4.01Å; V10-H60 HydrophobicContact CG1-CB 4.09Å; V10-I61 HydrophobicContact CG1-CD1 3.33Å; V10-I61 HydrophobicContact CG1-CG1 4.05Å
11E90.8Very high90.3Very high70 Ų7082.2 Ų82.233%0.32741%0.405SS..Hα-helixtrans-63.5-42.9174.9-73.3173.1177.200111.3R7 I14 L15R7-E11 HydrophobicContact CG-CG 4.39Å; R7-E11 WeakPolarHBondContact CG-OE1 3.37Å; R7-E11 IonicContact CZ-OE1 2.67Å; R7-E11 IonicContact NE-OE1 3.44Å; R7-E11 PolarHBondContact NE-OE1 2.93Å; R7-E11 IonicContact NH2-OE1 3.3Å; R7-E11 PolarHBondContact NH2-OE1 2.79Å; R7-E11 WeakPolarHBondContact O-CG 3.1Å; R7-E11 PolarHBondContact O-N 3.45Å; E11-I14 PolarHBondContact O-N 2.62Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 2.67Å; E11-L15 VanDerWaalsContact O-N 3.1Å
12H92.3Very high91.1Very high112 Ų11279.8 Ų79.852%0.51939%0.389SS..Hα-helixtrans-62.4-43.2176.7-175.7-75.3000112.4K8 Y9 I14 L15 N16K8-H12 VanDerWaalsContact O-CB 3.29Å; K8-H12 WeakPolarHBondContact O-CB 3.2Å; K8-H12 PolarHBondContact O-N 2.89Å; Y9-H12 PolarHBondContact O-N 3.3Å; H12-I14 VanDerWaalsContact C-N 3.31Å; H12-I14 PolarHBondContact O-N 2.66Å; H12-L15 PolarHBondContact O-N 2.99Å; H12-N16 PolarHBondContact CD2-ND2 3.02Å; H12-N16 PolarHBondContact CE1-ND2 2.9Å; H12-N16 VanDerWaalsContact CE1-ND2 3.33Å; H12-N16 PolarHBondContact NE2-ND2 2.78Å; H12-N16 WeakPolarHBondContact O-CB 3.03Å; H12-N16 PolarHBondContact O-N 2.84Å; H12-N16 PolarHBondContact O-ND2 3.43Å
13E91.4Very high91.1Very high15 Ų1582.7 Ų82.77%0.0741%0.407CS..Hα-helixtrans-58.6-42.6177-171.9-171.4146.800111.1Y9 V10 D17 K56 R86Y9-E13 PolarHBondContact O-N 3.11Å; V10-E13 PolarHBondContact O-N 3.25Å; E13-D17 WeakPolarHBondContact O-CB 3.41Å; E13-D17 PolarHBondContact O-N 3.45Å; E13-D17 VanDerWaalsContact O-N 3.1Å; E13-K56 IonicContact OE1-NZ 3.66Å; E13-K56 PolarHBondContact OE1-NZ 2.94Å; E13-K56 IonicContact OE2-NZ 2.7Å; E13-R86 IonicContact OE1-CZ 3.98Å
14I90.6Very high91.3Very high15 Ų1580.4 Ų80.48%0.07740%0.401CS..Hα-helixtrans-73.9-37.2-177.2-69.1178.1000112.4V10 E11 H12 Y57 I61 L89V10-I14 PolarHBondContact O-N 3.36Å; E11-I14 PolarHBondContact O-N 2.62Å; H12-I14 VanDerWaalsContact C-N 3.31Å; H12-I14 PolarHBondContact O-N 2.66Å; I14-Y57 HydrophobicContact CD1-CD1 4.43Å; I14-Y57 HydrophobicContact CD1-CE1 3.95Å; I14-Y57 HydrophobicContact CG1-CE1 4.27Å; I14-I61 HydrophobicContact CD1-CD1 3.11Å; I14-I61 HydrophobicContact CD1-CG1 3.58Å; I14-I61 HydrophobicContact CD1-CG2 4.48Å; I14-I61 HydrophobicContact CG1-CD1 4.46Å; I14-L89 HydrophobicContact CG2-CD1 3.57Å; I14-L89 HydrophobicContact CG2-CG 3.78Å
15L90.3Very high91.5Very high102 Ų10277.8 Ų77.853%0.53438%0.383SS..Hα-helixtrans-77.5-36.8-176.8-71.2168.5000113E11 H12 L89E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 2.67Å; E11-L15 VanDerWaalsContact O-N 3.1Å; H12-L15 PolarHBondContact O-N 2.99Å; L15-L89 HydrophobicContact CD2-CD1 3.59Å; L15-L89 HydrophobicContact CG-CD1 4.4Å
16N90.3Very high91.6Very high85 Ų8577 Ų7746%0.45537%0.373SS..Hα-helixtrans-107.5-28.1-169.3-60.7-44.3000113.7H12 F18H12-N16 PolarHBondContact CD2-ND2 3.02Å; H12-N16 PolarHBondContact CE1-ND2 2.9Å; H12-N16 VanDerWaalsContact CE1-ND2 3.33Å; H12-N16 PolarHBondContact NE2-ND2 2.78Å; H12-N16 WeakPolarHBondContact O-CB 3.03Å; H12-N16 PolarHBondContact O-N 2.84Å; H12-N16 PolarHBondContact O-ND2 3.43Å; N16-F18 PolarHBondContact O-N 2.93Å
17D90.7Very high91.9Very high70 Ų7073.2 Ų73.237%0.37436%0.357SS..  trans-90.295.5-177-61.3-7.7000110.7E13 R86 N92E13-D17 WeakPolarHBondContact O-CB 3.41Å; E13-D17 PolarHBondContact O-N 3.45Å; E13-D17 VanDerWaalsContact O-N 3.1Å; D17-R86 IonicContact OD2-NH1 2.73Å; D17-N92 PolarHBondContact O-ND2 3.12Å
18F90.5Very high92.1Very high98 Ų9867.4 Ų67.443%0.4334%0.335SS..  trans-76.1124.7170.4-54.5-56.6000110.5N16 N92 Y95N16-F18 PolarHBondContact O-N 2.93Å; F18-N92 HydrophobicContact CD1-CB 4.05Å; F18-N92 VanDerWaalsContact CD1-CG 3.49Å; F18-N92 WeakPolarHBondContact CE1-OD1 3.41Å; F18-Y95 HydrophobicContact CB-CD1 3.44Å; F18-Y95 VanDerWaalsContact CB-CD1 3.44Å; F18-Y95 HydrophobicContact CB-CE1 3.86Å; F18-Y95 HydrophobicContact CB-CG 3.92Å; F18-Y95 HydrophobicContact CG-CD1 4.32Å; F18-Y95 HydrophobicContact CG-CG 4.34Å
19V90.4Very high92.2Very high30 Ų3064.6 Ų64.618%0.18232%0.321CS..  trans-127.2134.5-179174.10000110.7L70 Y85V19-L70 HydrophobicContact CG1-CD2 4.18Å; V19-Y85 HydrophobicContact CG1-CE1 4.2Å
20L92.2Very high92.4Very high41 Ų4157.6 Ų57.622%0.21529%0.294CS..  trans-83.7144.3174.8-59179.5000111.2K22 Y95 I96 E99 L101L20-K22 PolarHBondContact O-N 2.99Å; L20-K22 VanDerWaalsContact O-N 3.16Å; L20-Y95 HydrophobicContact CD1-CE1 4.45Å; L20-Y95 HydrophobicContact CD2-CD1 3.73Å; L20-Y95 HydrophobicContact CD2-CE1 3.39Å; L20-Y95 HydrophobicContact CG-CE1 3.79Å; L20-I96 HydrophobicContact CD2-CG1 4.3Å; L20-E99 HydrophobicContact CD1-CG 4.34Å; L20-E99 HydrophobicContact CD2-CB 4Å; L20-E99 HydrophobicContact CD2-CG 3.85Å; L20-L101 HydrophobicContact CB-CD1 4.07Å; L20-L101 HydrophobicContact CD1-CD1 4.35Å; L20-L101 HydrophobicContact CD2-CD1 4.31Å; L20-L101 HydrophobicContact CG-CD1 4.47Å
21P91.4Very high92.6Very high24 Ų2458.4 Ų58.416%0.15630%0.299CS..  trans-64115.4173.128-33.8000109.5I27 L70 I96 L101P21-I27 HydrophobicContact CB-CG1 4.48Å; P21-I27 HydrophobicContact CG-CD1 4.27Å; P21-L70 HydrophobicContact CB-CD1 3.81Å; P21-I96 HydrophobicContact CG-CG2 4.36Å; P21-L101 HydrophobicContact CG-CB 3.81Å; P21-L101 HydrophobicContact CG-CD1 4.13Å
22K91.6Very high92.8Very high146 Ų14656.3 Ų56.364%0.63529%0.293SS*.  trans-106.7135.9174.2-66.9-179.5-176.9177.10109.2L20 M25L20-K22 PolarHBondContact O-N 2.99Å; L20-K22 VanDerWaalsContact O-N 3.16Å; K22-M25 WeakPolarHBondContact O-CA 3.47Å; K22-M25 WeakPolarHBondContact O-CB 3.48Å; K22-M25 VanDerWaalsContact O-CG 3.29Å; K22-M25 WeakPolarHBondContact O-CG 3.37Å; K22-M25 PolarHBondContact O-N 2.92Å
23P90Very high92.9Very high127 Ų12755.1 Ų55.183%0.82530%0.295SS*.THydrogen-bonded Turntrans-55.6136.7173.7-24.534.3000111.3
24P92.7Very high93.1Very high87 Ų8760.3 Ų60.357%0.56531%0.314SS*.THydrogen-bonded Turncis-90.512.69.338-37.5000114.9P73P24-P73 HydrophobicContact CB-CG 3.82Å; P24-P73 HydrophobicContact CG-CG 4.12Å; P24-P73 WeakPolarHBondContact O-CD 3.43Å; P24-P73 WeakPolarHBondContact O-CG 3.29Å
25M94.4Very high93.2Very high39 Ų3961.7 Ų61.719%0.19233%0.332CS..  trans-69.9150.2179.7-51.7175.8173.400111.9K22 L70 C71 E72 Y85K22-M25 WeakPolarHBondContact O-CA 3.47Å; K22-M25 WeakPolarHBondContact O-CB 3.48Å; K22-M25 VanDerWaalsContact O-CG 3.29Å; K22-M25 WeakPolarHBondContact O-CG 3.37Å; K22-M25 PolarHBondContact O-N 2.92Å; M25-L70 HydrophobicContact CB-CD1 3.92Å; M25-L70 HydrophobicContact CB-CG 4.42Å; M25-L70 HydrophobicContact SD-CD2 4.34Å; M25-C71 CarbonylContact C-O 3.56Å; M25-C71 WeakPolarHBondContact CA-O 2.74Å; M25-C71 WeakPolarHBondContact CB-O 3.49Å; M25-E72 HydrophobicContact CG-CB 4.31Å; M25-E72 HydrophobicContact CG-CG 4.43Å; M25-Y85 HydrophobicContact CE-CD1 4.06Å; M25-Y85 HydrophobicContact CE-CD2 3.75Å; M25-Y85 HydrophobicContact CE-CE1 4.1Å; M25-Y85 HydrophobicContact CE-CE2 3.85Å; M25-Y85 HydrophobicContact CE-CG 3.89Å; M25-Y85 HydrophobicContact SD-CD1 3.9Å; M25-Y85 HydrophobicContact SD-CE1 4.2Å; M25-Y85 HydrophobicContact SD-CG 4.11Å
26F94.6Very high93.4Very high53 Ų5363.6 Ų63.623%0.23234%0.343CS..EExtended strand (participates in β ladder)trans-146.2159-178.963.8-84.9000111.3A28 F49 C71 P73 A82F26-A28 HydrophobicContact CD2-CB 4.49Å; F26-A28 HydrophobicContact CE2-CB 4.16Å; F26-F49 HydrophobicContact CE2-CE1 4.41Å; F26-F49 HydrophobicContact CE2-CE2 4.13Å; F26-F49 AromaticContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CZ-CE2 4Å; F26-F49 AromaticContact CZ-CZ 3.93Å; F26-F49 HydrophobicContact CZ-CZ 3.93Å; F26-C71 HydrophobicContact CE1-CB 4.18Å; F26-C71 HydrophobicContact CE2-CB 4.13Å; F26-C71 HydrophobicContact CZ-CB 3.92Å; F26-C71 PolarHBondContact N-O 3.28Å; F26-C71 PolarHBondContact O-N 3.44Å; F26-P73 HydrophobicContact CE1-CB 4.07Å; F26-P73 HydrophobicContact CE1-CG 4.4Å; F26-A82 HydrophobicContact CE1-CB 4.23Å; F26-A82 HydrophobicContact CZ-CB 3.93Å
27I95.8Very high93.6Very high10 Ų1062.6 Ų62.65%0.05134%0.338CS..EExtended strand (participates in β ladder)trans-89.7136.7179.5-62169.7000109.1P21 L70 L88 I96 W102 P103 F106P21-I27 HydrophobicContact CB-CG1 4.48Å; P21-I27 HydrophobicContact CG-CD1 4.27Å; I27-L70 HydrophobicContact CG1-CD1 4.26Å; I27-L88 HydrophobicContact CD1-CD1 4.46Å; I27-L88 HydrophobicContact CG1-CD1 4.27Å; I27-L88 HydrophobicContact CG2-CD1 4.11Å; I27-I96 HydrophobicContact CD1-CD1 4.47Å; I27-I96 HydrophobicContact CD1-CG2 3.94Å; I27-W102 HydrophobicContact CD1-CE3 3.97Å; I27-W102 HydrophobicContact CD1-CZ3 4.13Å; I27-W102 HydrophobicContact CG2-CH2 4.38Å; I27-W102 HydrophobicContact CG2-CZ3 4.25Å; I27-P103 HydrophobicContact CB-CG 4.39Å; I27-F106 HydrophobicContact CG2-CD2 4.08Å; I27-F106 HydrophobicContact CG2-CE2 4.06Å
28A95.9Very high93.8Very high0 Ų061 Ų610%033%0.329CS..EExtended strand (participates in β ladder)trans-134.2152.6175.900000111.2F26 A41 E42 F49 Y68 V69F26-A28 HydrophobicContact CD2-CB 4.49Å; F26-A28 HydrophobicContact CE2-CB 4.16Å; A28-A41 HydrophobicContact CB-CB 3.96Å; A28-E42 CarbonylContact C-O 3.57Å; A28-E42 VanDerWaalsContact CA-O 3.3Å; A28-E42 WeakPolarHBondContact CA-O 3.43Å; A28-E42 WeakPolarHBondContact CB-O 3.47Å; A28-F49 HydrophobicContact CB-CZ 3.96Å; A28-Y68 WeakPolarHBondContact O-CA 3.47Å; A28-V69 HydrophobicContact CB-CG2 4.25Å; A28-V69 PolarHBondContact N-O 3.02Å; A28-V69 WeakPolarHBondContact O-CG2 3.49Å; A28-V69 PolarHBondContact O-N 3.1Å
29R96Very high94.1Very high82 Ų8257.4 Ų57.431%0.30931%0.313SS..EExtended strand (participates in β ladder)trans-101130175.3-175.3-179.868.1172.1-2.5110.4A41 E42 Y68 F106R29-A41 CarbonylContact O-C 3.52Å; R29-A41 VanDerWaalsContact O-CA 3.23Å; R29-A41 WeakPolarHBondContact O-CA 3.34Å; R29-E42 IonicContact CZ-OE2 3.49Å; R29-E42 PolarHBondContact N-O 2.82Å; R29-E42 IonicContact NE-OE2 3.53Å; R29-E42 IonicContact NH2-OE2 3.72Å; R29-E42 PolarHBondContact NH2-OE2 3.31Å; R29-E42 PolarHBondContact O-N 2.96Å; R29-Y68 HydrophobicContact CB-CD1 4.04Å; R29-Y68 HydrophobicContact CB-CE1 3.9Å; R29-Y68 HydrophobicContact CG-CD1 4.28Å; R29-Y68 HydrophobicContact CG-CE1 3.93Å; R29-F106 HydrophobicContact CB-CD1 4.32Å; R29-F106 HydrophobicContact CB-CE1 3.91Å; R29-F106 HydrophobicContact CB-CZ 4.27Å
30V96.5Very high94.4Very high2 Ų256.9 Ų56.91%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-79.7124.3179.3-179.90000110.8H39 I63 G66 M67 V69V30-H39 HydrophobicContact CG1-CB 4.15Å; V30-I63 HydrophobicContact CB-CG2 4.03Å; V30-I63 HydrophobicContact CG1-CG2 3.87Å; V30-I63 HydrophobicContact CG2-CG2 3.82Å; V30-G66 PolarHBondContact O-N 2.76Å; V30-M67 PolarHBondContact N-O 3.04Å; V30-V69 HydrophobicContact CG2-CG1 3.87Å; V30-V69 HydrophobicContact CG2-CG2 3.77Å
31T96.1Very high94.6Very high19 Ų1955 Ų5512%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-95.1-49.4-178.2-62.70000111.5E40 R65T31-E40 WeakPolarHBondContact CG2-OE2 3.49Å; T31-E40 PolarHBondContact N-O 3.14Å; T31-R65 WeakPolarHBondContact O-CB 3.44Å; T31-R65 WeakPolarHBondContact O-CD 3.39Å; T31-R65 WeakPolarHBondContact O-CG 3.23Å
32A95.6Very high94.8Very high25 Ų2555.5 Ų55.521%0.20730%0.299CS..EExtended strand (participates in β ladder)trans-156.2145.8-178.700000111.9E40A32-E40 PolarHBondContact N-O 2.8Å; A32-E40 PolarHBondContact O-N 3.46Å
33P94.9Very high95Very high87 Ų8749.2 Ų49.257%0.56527%0.274SS*.EExtended strand (participates in β ladder)trans-68.4144.1166.730.4-33.6000110.5
34R94.8Very high95.1Very high124 Ų12448.5 Ų48.547%0.46826%0.259SS..EExtended strand (participates in β ladder)trans-1170-178.6-69.3-74149.387.42.5114.2L38 E40 L50R34-L38 HydrophobicContact CB-CB 4.28Å; R34-L38 PolarHBondContact N-O 3.42Å; R34-E40 HydrophobicContact CG-CB 4.08Å; R34-E40 IonicContact CZ-OE1 3.45Å; R34-E40 IonicContact CZ-OE2 3.47Å; R34-E40 IonicContact NH1-OE1 2.62Å; R34-E40 PolarHBondContact NH1-OE1 3.01Å; R34-E40 IonicContact NH1-OE2 3.27Å; R34-E40 PolarHBondContact NH1-OE2 2.95Å; R34-E40 IonicContact NH2-OE1 3.36Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.76Å; R34-E40 PolarHBondContact NH2-OE2 3.04Å; R34-L50 HydrophobicContact CB-CD2 4.07Å; R34-L50 HydrophobicContact CG-CD2 3.62Å
35G93.3Very high95.1Very high44 Ų4448.7 Ų48.745%0.45426%0.263SS..EExtended strand (participates in β ladder)trans84172.6-175.600000112.4N37 L38G35-N37 PolarHBondContact O-N 2.73Å; G35-N37 VanDerWaalsContact O-N 3.14Å; G35-L38 WeakPolarHBondContact O-CA 3.41Å; G35-L38 VanDerWaalsContact O-CB 3.31Å; G35-L38 WeakPolarHBondContact O-CB 3.41Å; G35-L38 PolarHBondContact O-N 3.46Å
36N94.2Very high95Very high142 Ų14248.5 Ų48.576%0.75927%0.271SS*.THydrogen-bonded Turntrans50.536.8-178.7-164.428.6000114.9L38N36-L38 PolarHBondContact O-N 3.35Å
37N93.8Very high95Very high64 Ų6451.3 Ų51.334%0.34229%0.285SS..THydrogen-bonded Turntrans60.723.6-175-46-77.7000114.2G35 M53 R58G35-N37 PolarHBondContact O-N 2.73Å; G35-N37 VanDerWaalsContact O-N 3.14Å; N37-M53 HydrophobicContact CB-CB 4.2Å; N37-M53 WeakPolarHBondContact O-CB 3.34Å; N37-M53 PolarHBondContact O-N 3.41Å; N37-R58 HydrophobicContact CB-CG 4.25Å; N37-R58 WeakPolarHBondContact OD1-CG 3.37Å
38L95.3Very high94.9Very high37 Ų3758.4 Ų58.419%0.19431%0.311CS..EExtended strand (participates in β ladder)trans-104142172.7-56.4178.4000110.5R34 G35 N36 L50 V51 V80R34-L38 HydrophobicContact CB-CB 4.28Å; R34-L38 PolarHBondContact N-O 3.42Å; G35-L38 WeakPolarHBondContact O-CA 3.41Å; G35-L38 VanDerWaalsContact O-CB 3.31Å; G35-L38 WeakPolarHBondContact O-CB 3.41Å; G35-L38 PolarHBondContact O-N 3.46Å; N36-L38 PolarHBondContact O-N 3.35Å; L38-L50 HydrophobicContact CD1-CD1 4.36Å; L38-V51 WeakPolarHBondContact CA-O 3.41Å; L38-V80 HydrophobicContact CD1-CG2 4.15Å; L38-V80 HydrophobicContact CD2-CG1 4.38Å; L38-V80 HydrophobicContact CD2-CG2 3.81Å
39H96.4Very high94.9Very high22 Ų2259.2 Ų59.210%0.10232%0.315CS..EExtended strand (participates in β ladder)trans-126.7140.8174.5-57.6-90.8000109.1V30 L50 V51V30-H39 HydrophobicContact CG1-CB 4.15Å; H39-L50 CarbonylContact O-C 3.59Å; H39-L50 WeakPolarHBondContact O-CA 3.3Å; H39-V51 HydrophobicContact CB-CG2 3.82Å; H39-V51 PolarHBondContact N-O 2.93Å; H39-V51 WeakPolarHBondContact O-CG2 3.35Å; H39-V51 PolarHBondContact O-N 3.43Å
40E96.8Very high94.9Very high20 Ų2057.1 Ų57.19%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-79.2126.1165.8-176.2-177.3-115.300109T31 A32 R34 R48 F49 L50T31-E40 WeakPolarHBondContact CG2-OE2 3.49Å; T31-E40 PolarHBondContact N-O 3.14Å; A32-E40 PolarHBondContact N-O 2.8Å; A32-E40 PolarHBondContact O-N 3.46Å; R34-E40 HydrophobicContact CG-CB 4.08Å; R34-E40 IonicContact CZ-OE1 3.45Å; R34-E40 IonicContact CZ-OE2 3.47Å; R34-E40 IonicContact NH1-OE1 2.62Å; R34-E40 PolarHBondContact NH1-OE1 3.01Å; R34-E40 IonicContact NH1-OE2 3.27Å; R34-E40 PolarHBondContact NH1-OE2 2.95Å; R34-E40 IonicContact NH2-OE1 3.36Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.76Å; R34-E40 PolarHBondContact NH2-OE2 3.04Å; E40-R48 HydrophobicContact CG-CB 4.3Å; E40-F49 WeakPolarHBondContact CA-O 3.41Å; E40-L50 HydrophobicContact CB-CD2 4.41Å
41A96.7Very high94.9Very high0 Ų057 Ų570%031%0.309CS..EExtended strand (participates in β ladder)trans-123156.5174.400000110.8A28 R29 R48 F49 V51A28-A41 HydrophobicContact CB-CB 3.96Å; R29-A41 CarbonylContact O-C 3.52Å; R29-A41 VanDerWaalsContact O-CA 3.23Å; R29-A41 WeakPolarHBondContact O-CA 3.34Å; A41-R48 WeakPolarHBondContact O-CA 3.29Å; A41-F49 HydrophobicContact CB-CE2 4.17Å; A41-F49 HydrophobicContact CB-CZ 4.06Å; A41-F49 PolarHBondContact N-O 3.35Å; A41-F49 PolarHBondContact O-N 3.5Å; A41-V51 HydrophobicContact CB-CG1 3.85Å; A41-V51 HydrophobicContact CB-CG2 4.11Å
42E95.8Very high94.9Very high35 Ų3557.1 Ų57.116%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-114.2130177-175.1177.5-163.600109A28 R29 E47A28-E42 CarbonylContact C-O 3.57Å; A28-E42 VanDerWaalsContact CA-O 3.3Å; A28-E42 WeakPolarHBondContact CA-O 3.43Å; A28-E42 WeakPolarHBondContact CB-O 3.47Å; R29-E42 IonicContact CZ-OE2 3.49Å; R29-E42 PolarHBondContact N-O 2.82Å; R29-E42 IonicContact NE-OE2 3.53Å; R29-E42 IonicContact NH2-OE2 3.72Å; R29-E42 PolarHBondContact NH2-OE2 3.31Å; R29-E42 PolarHBondContact O-N 2.96Å; E42-E47 WeakPolarHBondContact CA-O 3.27Å
43S94.6Very high94.8Very high14 Ų1456.2 Ų56.210%0.09830%0.302CS..  trans-80.7174178.158.30000111.2S45 G46 E47S43-S45 PolarHBondContact O-N 3.36Å; S43-S45 PolarHBondContact OG-N 3.21Å; S43-G46 PolarHBondContact O-N 3.42Å; S43-E47 PolarHBondContact N-O 3.05Å; S43-E47 PolarHBondContact OG-N 3.5Å; S43-E47 PolarHBondContact OG-O 3.08Å
44E93Very high94.8Very high112 Ų11252.6 Ų52.652%0.52328%0.279SS..THydrogen-bonded Turntrans-55.3-28.8169.363.6-178.3-170.100113.2G46 P103E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 3.48Å; E44-P103 HydrophobicContact CB-CB 4.48Å
45S92.5Very high94.7Very high91 Ų9151.2 Ų51.264%0.63628%0.284SS*.THydrogen-bonded Turntrans-79-5.8177.4-46.50000113.9S43 E47S43-S45 PolarHBondContact O-N 3.36Å; S43-S45 PolarHBondContact OG-N 3.21Å; S45-E47 VanDerWaalsContact C-N 3.29Å
46G92.4Very high94.6Very high36 Ų3651.8 Ų51.837%0.37127%0.274SS..  trans79.86.2-173.700000114.5S43 E44S43-G46 PolarHBondContact O-N 3.42Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 3.48Å
47E93.6Very high94.6Very high112 Ų11245 Ų4552%0.52324%0.238SC..  trans-75.2135.6175-67.6-170-172.800110.8E42 S43 S45 F49 K81E42-E47 WeakPolarHBondContact CA-O 3.27Å; S43-E47 PolarHBondContact N-O 3.05Å; S43-E47 PolarHBondContact OG-N 3.5Å; S43-E47 PolarHBondContact OG-O 3.08Å; S45-E47 VanDerWaalsContact C-N 3.29Å; E47-F49 WeakPolarHBondContact O-CD1 3.45Å; E47-K81 IonicContact OE2-NZ 4Å
48R94.9Very high94.5Very high159 Ų15946.1 Ų46.160%0.624%0.237SC*.EExtended strand (participates in β ladder)trans-95.3133.8174.7-60.7-175.6-173.6-176.94.9111E40 A41E40-R48 HydrophobicContact CG-CB 4.3Å; A41-R48 WeakPolarHBondContact O-CA 3.29Å
49F95.3Very high94.2Very high16 Ų1653.3 Ų53.37%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-147.7166178.553.8-81.1000110.4F26 A28 E40 A41 E47 V51 K81 A82F26-F49 HydrophobicContact CE2-CE1 4.41Å; F26-F49 HydrophobicContact CE2-CE2 4.13Å; F26-F49 AromaticContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CZ-CE2 4Å; F26-F49 AromaticContact CZ-CZ 3.93Å; F26-F49 HydrophobicContact CZ-CZ 3.93Å; A28-F49 HydrophobicContact CB-CZ 3.96Å; E40-F49 WeakPolarHBondContact CA-O 3.41Å; A41-F49 HydrophobicContact CB-CE2 4.17Å; A41-F49 HydrophobicContact CB-CZ 4.06Å; A41-F49 PolarHBondContact N-O 3.35Å; A41-F49 PolarHBondContact O-N 3.5Å; E47-F49 WeakPolarHBondContact O-CD1 3.45Å; F49-V51 HydrophobicContact CD2-CG1 3.63Å; F49-V51 HydrophobicContact CE2-CG1 3.25Å; F49-V51 HydrophobicContact CZ-CG1 4.31Å; F49-K81 HydrophobicContact CB-CB 4.08Å; F49-K81 HydrophobicContact CB-CD 3.78Å; F49-K81 HydrophobicContact CB-CG 3.97Å; F49-K81 HydrophobicContact CD2-CB 4.11Å; F49-K81 HydrophobicContact CG-CB 4.29Å; F49-K81 HydrophobicContact CG-CD 4.39Å; F49-A82 HydrophobicContact CE2-CB 4.19Å
50L96.3Very high93.9Very high38 Ų3853.2 Ų53.220%0.19927%0.267CS..EExtended strand (participates in β ladder)trans-89.6136.2173.4-59.3176000110R34 L38 H39 E40 K79 V80 K81R34-L50 HydrophobicContact CB-CD2 4.07Å; R34-L50 HydrophobicContact CG-CD2 3.62Å; L38-L50 HydrophobicContact CD1-CD1 4.36Å; H39-L50 CarbonylContact O-C 3.59Å; H39-L50 WeakPolarHBondContact O-CA 3.3Å; E40-L50 HydrophobicContact CB-CD2 4.41Å; L50-K79 WeakPolarHBondContact CB-O 3.31Å; L50-K79 HydrophobicContact CD1-CB 4.38Å; L50-V80 HydrophobicContact CB-CG2 4.09Å; L50-V80 CarbonylContact O-C 3.49Å; L50-V80 WeakPolarHBondContact O-CA 3.5Å; L50-K81 PolarHBondContact O-N 2.85Å
51V96.6Very high93.6Very high0 Ų053.8 Ų53.80%027%0.27CS..EExtended strand (participates in β ladder)trans-113138171-59.60000110.6L38 H39 A41 F49 A82 I84L38-V51 WeakPolarHBondContact CA-O 3.41Å; H39-V51 HydrophobicContact CB-CG2 3.82Å; H39-V51 PolarHBondContact N-O 2.93Å; H39-V51 WeakPolarHBondContact O-CG2 3.35Å; H39-V51 PolarHBondContact O-N 3.43Å; A41-V51 HydrophobicContact CB-CG1 3.85Å; A41-V51 HydrophobicContact CB-CG2 4.11Å; F49-V51 HydrophobicContact CD2-CG1 3.63Å; F49-V51 HydrophobicContact CE2-CG1 3.25Å; F49-V51 HydrophobicContact CZ-CG1 4.31Å; V51-A82 CarbonylContact C-O 3.56Å; V51-A82 VanDerWaalsContact CA-O 3.23Å; V51-A82 WeakPolarHBondContact CA-O 3.34Å; V51-A82 HydrophobicContact CG1-CB 4.14Å; V51-I84 HydrophobicContact CB-CG1 4.08Å; V51-I84 HydrophobicContact CG2-CD1 3.76Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å
52S95.6Very high93.4Very high22 Ų2262.6 Ų62.615%0.15430%0.303CS..EExtended strand (participates in β ladder)trans-85.6140.7172.7179.50000110.6A82 E83 I84S52-A82 PolarHBondContact N-O 3.36Å; S52-E83 WeakPolarHBondContact O-CA 3.28Å; S52-I84 PolarHBondContact O-N 3.03Å
53M94.7Very high93.3Very high5 Ų561.7 Ų61.73%0.02530%0.299CS..PPolyproline II helixtrans-90.4126172-172.663.914900110.6N37 Y57 R58 I61 I63 I84 V87N37-M53 HydrophobicContact CB-CB 4.2Å; N37-M53 WeakPolarHBondContact O-CB 3.34Å; N37-M53 PolarHBondContact O-N 3.41Å; M53-Y57 HydrophobicContact CE-CD2 4Å; M53-Y57 HydrophobicContact CE-CG 4.07Å; M53-Y57 HydrophobicContact SD-CD2 3.81Å; M53-Y57 HydrophobicContact SD-CG 4.29Å; M53-R58 PolarHBondContact O-NE 2.95Å; M53-R58 PolarHBondContact O-NH2 3.09Å; M53-I61 HydrophobicContact CE-CB 4.1Å; M53-I61 HydrophobicContact CE-CG2 4.14Å; M53-I63 HydrophobicContact CE-CD1 3.45Å; M53-I63 VanDerWaalsContact CE-CD1 3.45Å; M53-I63 HydrophobicContact CE-CG1 3.86Å; M53-I63 HydrophobicContact SD-CD1 3.67Å; M53-I84 HydrophobicContact SD-CB 4.32Å; M53-I84 HydrophobicContact SD-CD1 3.75Å; M53-I84 HydrophobicContact SD-CG2 4.35Å; M53-V87 HydrophobicContact CE-CG2 4.43Å
54P94.8Very high93.2Very high12 Ų1268.6 Ų68.68%0.07833%0.327CS..PPolyproline II helixtrans-55.8148176.8-25.629.3000113K56 Y57 R58 E83 I84P54-K56 HydrophobicContact CB-CG 3.85Å; P54-K56 PolarHBondContact O-N 3.39Å; P54-K56 VanDerWaalsContact O-N 3.15Å; P54-Y57 HydrophobicContact CB-CD2 4.32Å; P54-Y57 HydrophobicContact CG-CD2 3.97Å; P54-Y57 HydrophobicContact CG-CE2 4.31Å; P54-Y57 PolarHBondContact O-N 2.9Å; P54-R58 WeakPolarHBondContact O-CG 3.43Å; P54-R58 PolarHBondContact O-N 2.91Å; P54-E83 WeakPolarHBondContact CA-OE1 3.23Å; P54-E83 HydrophobicContact CG-CG 3.98Å; P54-I84 WeakPolarHBondContact CD-O 3.18Å; P54-I84 WeakPolarHBondContact CG-O 3.39Å
55T93Very high93.2Very high94 Ų9473 Ų7358%0.57734%0.339SS*.THydrogen-bonded Turntrans-58.6-29.5178.757.60000113.4Y57T55-Y57 VanDerWaalsContact C-N 3.25Å; T55-Y57 PolarHBondContact O-N 3.36Å
56K91.2Very high93.3Very high56 Ų5670.6 Ų70.624%0.24333%0.329CS..THydrogen-bonded Turntrans-62.1-33.4174.857.6170.3-177.7174.50112.4E13 P54 H60E13-K56 IonicContact OE1-NZ 3.66Å; E13-K56 PolarHBondContact OE1-NZ 2.94Å; E13-K56 IonicContact OE2-NZ 2.7Å; P54-K56 HydrophobicContact CB-CG 3.85Å; P54-K56 PolarHBondContact O-N 3.39Å; P54-K56 VanDerWaalsContact O-N 3.15Å; K56-H60 PolarHBondContact O-ND1 2.96Å
57Y93.2Very high93.3Very high0 Ų071 Ų710%032%0.322CS..THydrogen-bonded Turntrans-92.6-22.7-174.9-62.1-24.6000114V10 I14 M53 P54 T55 K59 H60 I61 I84 Y85V10-Y57 HydrophobicContact CG1-CD1 3.68Å; V10-Y57 HydrophobicContact CG1-CE1 4.01Å; I14-Y57 HydrophobicContact CD1-CD1 4.43Å; I14-Y57 HydrophobicContact CD1-CE1 3.95Å; I14-Y57 HydrophobicContact CG1-CE1 4.27Å; M53-Y57 HydrophobicContact CE-CD2 4Å; M53-Y57 HydrophobicContact CE-CG 4.07Å; M53-Y57 HydrophobicContact SD-CD2 3.81Å; M53-Y57 HydrophobicContact SD-CG 4.29Å; P54-Y57 HydrophobicContact CB-CD2 4.32Å; P54-Y57 HydrophobicContact CG-CD2 3.97Å; P54-Y57 HydrophobicContact CG-CE2 4.31Å; P54-Y57 PolarHBondContact O-N 2.9Å; T55-Y57 VanDerWaalsContact C-N 3.25Å; T55-Y57 PolarHBondContact O-N 3.36Å; Y57-K59 PolarHBondContact O-N 2.87Å; Y57-H60 PolarHBondContact O-N 3.25Å; Y57-I61 HydrophobicContact CD1-CD1 3.06Å; Y57-I61 HydrophobicContact CD2-CD1 4.24Å; Y57-I61 HydrophobicContact CE1-CD1 3.69Å; Y57-I61 HydrophobicContact CG-CD1 3.37Å; Y57-I61 PolarHBondContact O-N 2.99Å; Y57-I61 VanDerWaalsContact O-N 3.11Å; Y57-I84 HydrophobicContact CE2-CG2 4.48Å; Y57-Y85 WeakPolarHBondContact CE2-O 3.43Å; Y57-Y85 PolarHBondContact OH-O 2.73Å
58R92.3Very high93.4Very high87 Ų8766.3 Ų66.333%0.32830%0.299SS..THydrogen-bonded Turntrans-54.8129.8176.5-62.2179.6-164.7171.93.4110.1N37 M53 P54 H60N37-R58 HydrophobicContact CB-CG 4.25Å; N37-R58 WeakPolarHBondContact OD1-CG 3.37Å; M53-R58 PolarHBondContact O-NE 2.95Å; M53-R58 PolarHBondContact O-NH2 3.09Å; P54-R58 WeakPolarHBondContact O-CG 3.43Å; P54-R58 PolarHBondContact O-N 2.91Å; R58-H60 PolarHBondContact O-N 3.14Å; R58-H60 PolarHBondContact O-ND1 2.8Å
59K88.3Confident93.4Very high189 Ų18958.8 Ų58.882%0.82227%0.271SS*.THydrogen-bonded Turntrans71-6.2-177-47.4-179.6179.3-173.80116.6Y57Y57-K59 PolarHBondContact O-N 2.87Å
60H90.1Very high93.5Very high20 Ų2058 Ų589%0.09327%0.268CS..THydrogen-bonded Turntrans-109.9-29-179.2-52.2116.5000113V10 K56 Y57 R58V10-H60 HydrophobicContact CG1-CB 4.09Å; K56-H60 PolarHBondContact O-ND1 2.96Å; Y57-H60 PolarHBondContact O-N 3.25Å; R58-H60 PolarHBondContact O-N 3.14Å; R58-H60 PolarHBondContact O-ND1 2.8Å
61I91.7Very high93.5Very high31 Ų3156.2 Ų56.216%0.15926%0.258CS..  trans-127.5136.9-177.6-62.9137.9000110.3V10 I14 M53 Y57 I63 V87V10-I61 HydrophobicContact CG1-CD1 3.33Å; V10-I61 HydrophobicContact CG1-CG1 4.05Å; I14-I61 HydrophobicContact CD1-CD1 3.11Å; I14-I61 HydrophobicContact CD1-CG1 3.58Å; I14-I61 HydrophobicContact CD1-CG2 4.48Å; I14-I61 HydrophobicContact CG1-CD1 4.46Å; M53-I61 HydrophobicContact CE-CB 4.1Å; M53-I61 HydrophobicContact CE-CG2 4.14Å; Y57-I61 HydrophobicContact CD1-CD1 3.06Å; Y57-I61 HydrophobicContact CD2-CD1 4.24Å; Y57-I61 HydrophobicContact CE1-CD1 3.69Å; Y57-I61 HydrophobicContact CG-CD1 3.37Å; Y57-I61 PolarHBondContact O-N 2.99Å; Y57-I61 VanDerWaalsContact O-N 3.11Å; I61-I63 HydrophobicContact CG2-CG1 4.43Å; I61-V87 HydrophobicContact CG2-CG2 4.15Å
62W91.1Very high93.4Very high185 Ų18560.1 Ų60.170%0.70128%0.276SS*.  trans-108.2122.8173.3-71.7-94.1000110.7
63I93.6Very high93.4Very high16 Ų1661.6 Ų61.68%0.08229%0.286CS..PPolyproline II helixtrans-98.2122.4175.9-59.3175.8000108.9V30 M53 I61 M67 V69 I84 V87V30-I63 HydrophobicContact CB-CG2 4.03Å; V30-I63 HydrophobicContact CG1-CG2 3.87Å; V30-I63 HydrophobicContact CG2-CG2 3.82Å; M53-I63 HydrophobicContact CE-CD1 3.45Å; M53-I63 VanDerWaalsContact CE-CD1 3.45Å; M53-I63 HydrophobicContact CE-CG1 3.86Å; M53-I63 HydrophobicContact SD-CD1 3.67Å; I61-I63 HydrophobicContact CG2-CG1 4.43Å; I63-M67 HydrophobicContact CG2-CB 4.2Å; I63-M67 HydrophobicContact CG2-SD 4.29Å; I63-V69 HydrophobicContact CD1-CG1 4.23Å; I63-I84 HydrophobicContact CD1-CD1 3.56Å; I63-V87 HydrophobicContact CD1-CG2 3.89Å; I63-V87 HydrophobicContact CG1-CG2 4.06Å
64K92.4Very high93.4Very high159 Ų15964.4 Ų64.469%0.69130%0.3SS*.PPolyproline II helixtrans-95.4162.8175.5-63.9-177178.9179.80110.9M67K64-M67 HydrophobicContact CB-CG 4.3Å; K64-M67 HydrophobicContact CB-SD 4.1Å; K64-M67 PolarHBondContact N-SD 3.27Å; K64-M67 WeakPolarHBondContact O-CB 3.49Å; K64-M67 WeakPolarHBondContact O-CG 3.46Å; K64-M67 PolarHBondContact O-N 3.33Å
65R94.2Very high93.1Very high204 Ų20469 Ų6977%0.7734%0.34SS*.THydrogen-bonded Turntrans-59.8136.5170.8172.1171.4-176.9-165.8-0.5110.2T31T31-R65 WeakPolarHBondContact O-CB 3.44Å; T31-R65 WeakPolarHBondContact O-CD 3.39Å; T31-R65 WeakPolarHBondContact O-CG 3.23Å
66G93Very high93Very high41 Ų4173.6 Ų73.642%0.42335%0.354SS..THydrogen-bonded Turntrans87.3-1.3179.900000114.7V30V30-G66 PolarHBondContact O-N 2.76Å
67M94Very high92.5Very high44 Ų4472.1 Ų72.122%0.21736%0.355CS..  trans-74.5152.6172.1-67.3-173.272.500111.3V30 I63 K64 V87 L89V30-M67 PolarHBondContact N-O 3.04Å; I63-M67 HydrophobicContact CG2-CB 4.2Å; I63-M67 HydrophobicContact CG2-SD 4.29Å; K64-M67 HydrophobicContact CB-CG 4.3Å; K64-M67 HydrophobicContact CB-SD 4.1Å; K64-M67 PolarHBondContact N-SD 3.27Å; K64-M67 WeakPolarHBondContact O-CB 3.49Å; K64-M67 WeakPolarHBondContact O-CG 3.46Å; K64-M67 PolarHBondContact O-N 3.33Å; M67-V87 HydrophobicContact CE-CG1 3.54Å; M67-L89 HydrophobicContact CE-CD2 4.29Å
68Y95.3Very high92.2Very high15 Ų1579.5 Ų79.56%0.05940%0.395CS..EExtended strand (participates in β ladder)trans-100.2142.3174.7-61.2-80.2000110.3A28 R29 L88 I93 W102 F106 P107 P109A28-Y68 WeakPolarHBondContact O-CA 3.47Å; R29-Y68 HydrophobicContact CB-CD1 4.04Å; R29-Y68 HydrophobicContact CB-CE1 3.9Å; R29-Y68 HydrophobicContact CG-CD1 4.28Å; R29-Y68 HydrophobicContact CG-CE1 3.93Å; Y68-L88 WeakPolarHBondContact O-CB 3.08Å; Y68-L88 PolarHBondContact O-N 2.96Å; Y68-I93 HydrophobicContact CD2-CD1 3.77Å; Y68-I93 HydrophobicContact CG-CD1 4.47Å; Y68-W102 AromaticContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CZ2 4.06Å; Y68-W102 AromaticContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CZ2 4.25Å; Y68-W102 HydrophobicContact CE1-CH2 4.3Å; Y68-W102 HydrophobicContact CE1-CZ2 4.05Å; Y68-W102 HydrophobicContact CE2-CH2 4.35Å; Y68-W102 HydrophobicContact CE2-CZ2 4.25Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.16Å; Y68-F106 HydrophobicContact CD1-CD2 4.22Å; Y68-F106 HydrophobicContact CD1-CG 4.29Å; Y68-F106 HydrophobicContact CE1-CB 3.65Å; Y68-F106 HydrophobicContact CE1-CD1 4.03Å; Y68-F106 HydrophobicContact CE1-CD2 4.04Å; Y68-F106 AromaticContact CE1-CG 3.65Å; Y68-F106 HydrophobicContact CE1-CG 3.65Å; Y68-P107 PolarHBondContact OH-O 3.31Å; Y68-P109 HydrophobicContact CE2-CG 4.29Å
69V95.6Very high92.1Very high0 Ų083.4 Ų83.40%041%0.414CS..EExtended strand (participates in β ladder)trans-133.8143.2180-690000109.4A28 V30 I63 C71 I84 V87A28-V69 HydrophobicContact CB-CG2 4.25Å; A28-V69 PolarHBondContact N-O 3.02Å; A28-V69 WeakPolarHBondContact O-CG2 3.49Å; A28-V69 PolarHBondContact O-N 3.1Å; V30-V69 HydrophobicContact CG2-CG1 3.87Å; V30-V69 HydrophobicContact CG2-CG2 3.77Å; I63-V69 HydrophobicContact CD1-CG1 4.23Å; V69-C71 VanDerWaalsContact CG2-SG 3.54Å; V69-I84 HydrophobicContact CB-CG1 4.4Å; V69-I84 HydrophobicContact CB-CG2 4.14Å; V69-I84 HydrophobicContact CG1-CD1 4.38Å; V69-I84 HydrophobicContact CG1-CG2 4.17Å; V69-I84 HydrophobicContact CG2-CG1 4.44Å; V69-V87 HydrophobicContact CG1-CG2 4.38Å
70L95.7Very high92.4Very high0 Ų076.1 Ų76.10%039%0.385CS..EExtended strand (participates in β ladder)trans-89.7123.1167.5-179.260.3000107.5V19 P21 M25 I27 I84 Y85 R86 L88V19-L70 HydrophobicContact CG1-CD2 4.18Å; P21-L70 HydrophobicContact CB-CD1 3.81Å; M25-L70 HydrophobicContact CB-CD1 3.92Å; M25-L70 HydrophobicContact CB-CG 4.42Å; M25-L70 HydrophobicContact SD-CD2 4.34Å; I27-L70 HydrophobicContact CG1-CD1 4.26Å; L70-I84 CarbonylContact O-C 3.51Å; L70-Y85 HydrophobicContact CD2-CD1 3.92Å; L70-Y85 HydrophobicContact CG-CD1 4.44Å; L70-Y85 WeakPolarHBondContact O-CA 3.35Å; L70-Y85 WeakPolarHBondContact O-CB 3.04Å; L70-Y85 PolarHBondContact O-N 3.25Å; L70-R86 HydrophobicContact CB-CB 4.43Å; L70-R86 PolarHBondContact N-O 2.85Å; L70-R86 PolarHBondContact O-N 3.2Å; L70-L88 HydrophobicContact CB-CD2 4.28Å; L70-L88 HydrophobicContact CB-CG 4.5Å
71C96.1Very high92.6Very high0 Ų079.5 Ų79.50%040%0.4CS..EExtended strand (participates in β ladder)trans-117.4144.5-173.6-67.10000111.1M25 F26 V69 A82 E83M25-C71 CarbonylContact C-O 3.56Å; M25-C71 WeakPolarHBondContact CA-O 2.74Å; M25-C71 WeakPolarHBondContact CB-O 3.49Å; F26-C71 HydrophobicContact CE1-CB 4.18Å; F26-C71 HydrophobicContact CE2-CB 4.13Å; F26-C71 HydrophobicContact CZ-CB 3.92Å; F26-C71 PolarHBondContact N-O 3.28Å; F26-C71 PolarHBondContact O-N 3.44Å; V69-C71 VanDerWaalsContact CG2-SG 3.54Å; C71-A82 HydrophobicContact CB-CB 4.03Å; C71-E83 CarbonylContact C-O 3.58Å; C71-E83 VanDerWaalsContact CA-O 3.28Å; C71-E83 WeakPolarHBondContact CA-O 3.21Å
72E95.3Very high92.8Very high82 Ų8278 Ų7838%0.38339%0.392SS..EExtended strand (participates in β ladder)trans-106125.3169.7-172.8170.5-172.200109.2M25 A82 E83M25-E72 HydrophobicContact CG-CB 4.31Å; M25-E72 HydrophobicContact CG-CG 4.43Å; E72-A82 CarbonylContact O-C 3.59Å; E72-A82 WeakPolarHBondContact O-CA 3.49Å; E72-A82 VanDerWaalsContact O-CB 3.28Å; E72-A82 WeakPolarHBondContact O-CB 3.47Å; E72-E83 PolarHBondContact N-O 2.86Å; E72-E83 PolarHBondContact O-N 3.26Å
73P95.3Very high93Very high54 Ų5472.8 Ų72.835%0.35138%0.375SS..EExtended strand (participates in β ladder)trans-69.2142.9-177.926.7-32.8000112.1P24 F26P24-P73 HydrophobicContact CB-CG 3.82Å; P24-P73 HydrophobicContact CG-CG 4.12Å; P24-P73 WeakPolarHBondContact O-CD 3.43Å; P24-P73 WeakPolarHBondContact O-CG 3.29Å; F26-P73 HydrophobicContact CE1-CB 4.07Å; F26-P73 HydrophobicContact CE1-CG 4.4Å
74I94.5Very high93.1Very high63 Ų6372 Ų7232%0.32337%0.372SS..  trans-107.9109.7174.5-56.8168.6000107.8E76 G77 V80 K81 E83I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.04Å; I74-G77 PolarHBondContact O-N 3.11Å; I74-V80 HydrophobicContact CD1-CG1 4.47Å; I74-K81 PolarHBondContact N-O 3.3Å; I74-E83 HydrophobicContact CD1-CB 4.15Å
75A89.6Confident93.2Very high110 Ų11068 Ų6891%0.90935%0.353SS*.THydrogen-bonded Turntrans-62.6-31.6-176.200000113.7G77A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 3.34Å
76E89.7Confident93.2Very high189 Ų18960 Ų6088%0.88332%0.322SS*.THydrogen-bonded Turntrans-81.8-7.2-178.3-59.3178.4177.800113.2I74 N78I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.04Å; E76-N78 PolarHBondContact O-N 3.41Å
77G82.1Confident93.3Very high26 Ų2658.1 Ų58.127%0.26830%0.303SS..  trans-75.6110.7-167.900000114.4I74 A75 V80I74-G77 PolarHBondContact O-N 3.11Å; A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 3.34Å; G77-V80 CarbonylContact C-O 3.58Å; G77-V80 WeakPolarHBondContact CA-O 3.28Å
78N86.6Confident93.3Very high154 Ų15456.3 Ų56.382%0.82429%0.294SS*.SBendtrans-77.2-62.7175.3-163.1-17.8000111.5E76E76-N78 PolarHBondContact O-N 3.41Å
79K90.2Very high93.2Very high170 Ų17058.2 Ų58.274%0.73931%0.305SS*.SBendtrans-88.5-39.6177-67.7-176.9-180178.50112.9L50L50-K79 WeakPolarHBondContact CB-O 3.31Å; L50-K79 HydrophobicContact CD1-CB 4.38Å
80V94.4Very high93Very high35 Ų3561 Ų6121%0.21232%0.32CS..EExtended strand (participates in β ladder)trans-100.8107.5-179.3-178.20000107.5L38 L50 I74 G77L38-V80 HydrophobicContact CD1-CG2 4.15Å; L38-V80 HydrophobicContact CD2-CG1 4.38Å; L38-V80 HydrophobicContact CD2-CG2 3.81Å; L50-V80 HydrophobicContact CB-CG2 4.09Å; L50-V80 CarbonylContact O-C 3.49Å; L50-V80 WeakPolarHBondContact O-CA 3.5Å; I74-V80 HydrophobicContact CD1-CG1 4.47Å; G77-V80 CarbonylContact C-O 3.58Å; G77-V80 WeakPolarHBondContact CA-O 3.28Å
81K94.4Very high92.7Very high92 Ų9262.7 Ų62.740%0.434%0.337SS..EExtended strand (participates in β ladder)trans-93.8-16-171.2-64.8-168.3-177.21790113.7E47 F49 L50 I74E47-K81 IonicContact OE2-NZ 4Å; F49-K81 HydrophobicContact CB-CB 4.08Å; F49-K81 HydrophobicContact CB-CD 3.78Å; F49-K81 HydrophobicContact CB-CG 3.97Å; F49-K81 HydrophobicContact CD2-CB 4.11Å; F49-K81 HydrophobicContact CG-CB 4.29Å; F49-K81 HydrophobicContact CG-CD 4.39Å; L50-K81 PolarHBondContact O-N 2.85Å; I74-K81 PolarHBondContact N-O 3.3Å
82A96.2Very high92.5Very high0 Ų062.9 Ų62.90%034%0.338CS..EExtended strand (participates in β ladder)trans-152.5161.6-177.100000112.2F26 F49 V51 S52 C71 E72F26-A82 HydrophobicContact CE1-CB 4.23Å; F26-A82 HydrophobicContact CZ-CB 3.93Å; F49-A82 HydrophobicContact CE2-CB 4.19Å; V51-A82 CarbonylContact C-O 3.56Å; V51-A82 VanDerWaalsContact CA-O 3.23Å; V51-A82 WeakPolarHBondContact CA-O 3.34Å; V51-A82 HydrophobicContact CG1-CB 4.14Å; S52-A82 PolarHBondContact N-O 3.36Å; C71-A82 HydrophobicContact CB-CB 4.03Å; E72-A82 CarbonylContact O-C 3.59Å; E72-A82 WeakPolarHBondContact O-CA 3.49Å; E72-A82 VanDerWaalsContact O-CB 3.28Å; E72-A82 WeakPolarHBondContact O-CB 3.47Å
83E95.5Very high92.4Very high75 Ų7559.1 Ų59.135%0.3532%0.321SS..EExtended strand (participates in β ladder)trans-111.5140.1169.7-175166.1-166.800109.7S52 P54 C71 E72 I74 Y85S52-E83 WeakPolarHBondContact O-CA 3.28Å; P54-E83 WeakPolarHBondContact CA-OE1 3.23Å; P54-E83 HydrophobicContact CG-CG 3.98Å; C71-E83 CarbonylContact C-O 3.58Å; C71-E83 VanDerWaalsContact CA-O 3.28Å; C71-E83 WeakPolarHBondContact CA-O 3.21Å; E72-E83 PolarHBondContact N-O 2.86Å; E72-E83 PolarHBondContact O-N 3.26Å; I74-E83 HydrophobicContact CD1-CB 4.15Å; E83-Y85 PolarHBondContact O-N 3.23Å
84I95.9Very high92.2Very high0 Ų061.6 Ų61.60%032%0.323CS..EExtended strand (participates in β ladder)trans-69.8113.6176.2-64.7166.9000108.2V51 S52 M53 P54 Y57 I63 V69 L70 V87V51-I84 HydrophobicContact CB-CG1 4.08Å; V51-I84 HydrophobicContact CG2-CD1 3.76Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å; S52-I84 PolarHBondContact O-N 3.03Å; M53-I84 HydrophobicContact SD-CB 4.32Å; M53-I84 HydrophobicContact SD-CD1 3.75Å; M53-I84 HydrophobicContact SD-CG2 4.35Å; P54-I84 WeakPolarHBondContact CD-O 3.18Å; P54-I84 WeakPolarHBondContact CG-O 3.39Å; Y57-I84 HydrophobicContact CE2-CG2 4.48Å; I63-I84 HydrophobicContact CD1-CD1 3.56Å; V69-I84 HydrophobicContact CB-CG1 4.4Å; V69-I84 HydrophobicContact CB-CG2 4.14Å; V69-I84 HydrophobicContact CG1-CD1 4.38Å; V69-I84 HydrophobicContact CG1-CG2 4.17Å; V69-I84 HydrophobicContact CG2-CG1 4.44Å; L70-I84 CarbonylContact O-C 3.51Å; I84-V87 HydrophobicContact CG2-CG2 4.31Å
85Y94.5Very high92.1Very high75 Ų7562.5 Ų62.529%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-74.3-49.8173.7-175.5-111.1000110.9V19 M25 Y57 L70 E83V19-Y85 HydrophobicContact CG1-CE1 4.2Å; M25-Y85 HydrophobicContact CE-CD1 4.06Å; M25-Y85 HydrophobicContact CE-CD2 3.75Å; M25-Y85 HydrophobicContact CE-CE1 4.1Å; M25-Y85 HydrophobicContact CE-CE2 3.85Å; M25-Y85 HydrophobicContact CE-CG 3.89Å; M25-Y85 HydrophobicContact SD-CD1 3.9Å; M25-Y85 HydrophobicContact SD-CE1 4.2Å; M25-Y85 HydrophobicContact SD-CG 4.11Å; Y57-Y85 WeakPolarHBondContact CE2-O 3.43Å; Y57-Y85 PolarHBondContact OH-O 2.73Å; L70-Y85 HydrophobicContact CD2-CD1 3.92Å; L70-Y85 HydrophobicContact CG-CD1 4.44Å; L70-Y85 WeakPolarHBondContact O-CA 3.35Å; L70-Y85 WeakPolarHBondContact O-CB 3.04Å; L70-Y85 PolarHBondContact O-N 3.25Å; E83-Y85 PolarHBondContact O-N 3.23Å
86R93.7Very high92.3Very high34 Ų3457.3 Ų57.313%0.12828%0.28CS..EExtended strand (participates in β ladder)trans-147.4146.6-177.8-72.3166.4-166.3-114.92.2111.7E13 D17 L70E13-R86 IonicContact OE1-CZ 3.98Å; D17-R86 IonicContact OD2-NH1 2.73Å; L70-R86 HydrophobicContact CB-CB 4.43Å; L70-R86 PolarHBondContact N-O 2.85Å; L70-R86 PolarHBondContact O-N 3.2Å
87V94.2Very high92.4Very high2 Ų253.2 Ų53.21%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-89.1129.4171.5-177.40000108.7M53 I61 I63 M67 V69 I84M53-V87 HydrophobicContact CE-CG2 4.43Å; I61-V87 HydrophobicContact CG2-CG2 4.15Å; I63-V87 HydrophobicContact CD1-CG2 3.89Å; I63-V87 HydrophobicContact CG1-CG2 4.06Å; M67-V87 HydrophobicContact CE-CG1 3.54Å; V69-V87 HydrophobicContact CG1-CG2 4.38Å; I84-V87 HydrophobicContact CG2-CG2 4.31Å
88L93.9Very high92.9Very high6 Ų658 Ų583%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-92.2114.5-176.2-57.6177.6000110I27 Y68 L70 N92 I93 I96 W102I27-L88 HydrophobicContact CD1-CD1 4.46Å; I27-L88 HydrophobicContact CG1-CD1 4.27Å; I27-L88 HydrophobicContact CG2-CD1 4.11Å; Y68-L88 WeakPolarHBondContact O-CB 3.08Å; Y68-L88 PolarHBondContact O-N 2.96Å; L70-L88 HydrophobicContact CB-CD2 4.28Å; L70-L88 HydrophobicContact CB-CG 4.5Å; L88-N92 HydrophobicContact CD2-CB 4.13Å; L88-I93 HydrophobicContact CB-CD1 4.42Å; L88-I93 HydrophobicContact CB-CG1 3.9Å; L88-I96 HydrophobicContact CD1-CD1 4.03Å; L88-I96 HydrophobicContact CD2-CD1 3.75Å; L88-W102 HydrophobicContact CD1-CZ3 4.17Å
89L93.1Very high93.2Very high56 Ų5655.5 Ų55.529%0.29326%0.26SS..  trans-89.8170.5169.8-60.7-176.7000110.8I14 L15 M67 G91 N92 I93I14-L89 HydrophobicContact CG2-CD1 3.57Å; I14-L89 HydrophobicContact CG2-CG 3.78Å; L15-L89 HydrophobicContact CD2-CD1 3.59Å; L15-L89 HydrophobicContact CG-CD1 4.4Å; M67-L89 HydrophobicContact CE-CD2 4.29Å; L89-G91 PolarHBondContact O-N 2.85Å; L89-G91 VanDerWaalsContact O-N 3.14Å; L89-N92 PolarHBondContact O-N 2.93Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.87Å
90D91.7Very high93.2Very high58 Ų5850.4 Ų50.431%0.3126%0.255SS..Hα-helixtrans-54-37.1-176-64.7-29000113.2R94 R111 A112D90-R94 WeakPolarHBondContact O-CG 3.07Å; D90-R94 PolarHBondContact O-N 2.81Å; D90-R94 VanDerWaalsContact O-N 3.11Å; D90-R111 HydrophobicContact CB-CB 4.47Å; D90-R111 WeakPolarHBondContact OD2-CB 3.21Å; D90-R111 WeakPolarHBondContact OD2-CD 3.35Å; D90-A112 HydrophobicContact CB-CB 4.33Å
91G90.9Very high93.1Very high35 Ų3552.7 Ų52.736%0.36127%0.266SS..Hα-helixtrans-66.1-45.1176.100000113.3L89 I93 R94 Y95L89-G91 PolarHBondContact O-N 2.85Å; L89-G91 VanDerWaalsContact O-N 3.14Å; G91-I93 VanDerWaalsContact C-N 3.34Å; G91-I93 PolarHBondContact O-N 3.06Å; G91-R94 WeakPolarHBondContact O-CB 3.11Å; G91-R94 PolarHBondContact O-N 3.43Å; G91-Y95 PolarHBondContact O-N 2.95Å
92N91.4Very high93Very high5 Ų549.5 Ų49.53%0.02725%0.252CS..Hα-helixtrans-65.9-39.1177.3-55.157.3000111.3D17 F18 L88 L89 R94 Y95 I96D17-N92 PolarHBondContact O-ND2 3.12Å; F18-N92 HydrophobicContact CD1-CB 4.05Å; F18-N92 VanDerWaalsContact CD1-CG 3.49Å; F18-N92 WeakPolarHBondContact CE1-OD1 3.41Å; L88-N92 HydrophobicContact CD2-CB 4.13Å; L89-N92 PolarHBondContact O-N 2.93Å; N92-R94 VanDerWaalsContact C-N 3.34Å; N92-Y95 PolarHBondContact O-N 2.82Å; N92-I96 VanDerWaalsContact O-CG1 3.29Å; N92-I96 WeakPolarHBondContact O-CG1 3.33Å; N92-I96 PolarHBondContact O-N 3.32Å
93I92.7Very high92.7Very high3 Ų350.4 Ų50.42%0.01526%0.257CS..Hα-helixtrans-61.9-44.2177.7-66170.5000110.2Y68 L88 L89 G91 I96 Y97 W102 P109 A112Y68-I93 HydrophobicContact CD2-CD1 3.77Å; Y68-I93 HydrophobicContact CG-CD1 4.47Å; L88-I93 HydrophobicContact CB-CD1 4.42Å; L88-I93 HydrophobicContact CB-CG1 3.9Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.87Å; G91-I93 VanDerWaalsContact C-N 3.34Å; G91-I93 PolarHBondContact O-N 3.06Å; I93-I96 PolarHBondContact O-N 3.49Å; I93-Y97 VanDerWaalsContact O-CB 3.29Å; I93-Y97 WeakPolarHBondContact O-CB 3.29Å; I93-Y97 PolarHBondContact O-N 3.33Å; I93-W102 HydrophobicContact CB-CH2 4.43Å; I93-W102 HydrophobicContact CB-CZ3 4.21Å; I93-W102 HydrophobicContact CD1-CH2 4.25Å; I93-W102 HydrophobicContact CG1-CH2 3.95Å; I93-W102 HydrophobicContact CG1-CZ3 3.9Å; I93-W102 HydrophobicContact CG2-CD2 4.45Å; I93-W102 HydrophobicContact CG2-CE3 4.09Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 4.15Å; I93-W102 HydrophobicContact CG2-CZ3 3.75Å; I93-P109 HydrophobicContact CD1-CG 3.68Å; I93-P109 HydrophobicContact CG2-CG 4.37Å; I93-A112 HydrophobicContact CB-CB 4.02Å; I93-A112 HydrophobicContact CG2-CB 3.74Å
94R91.7Very high92.4Very high106 Ų10652.7 Ų52.740%0.428%0.282SS..Hα-helixtrans-58.4-49.5173.6-77.1174.6177.8-179.33.8112D90 G91 N92 I96 Y97 D98 R111 A112D90-R94 WeakPolarHBondContact O-CG 3.07Å; D90-R94 PolarHBondContact O-N 2.81Å; D90-R94 VanDerWaalsContact O-N 3.11Å; G91-R94 WeakPolarHBondContact O-CB 3.11Å; G91-R94 PolarHBondContact O-N 3.43Å; N92-R94 VanDerWaalsContact C-N 3.34Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 2.89Å; R94-Y97 WeakPolarHBondContact O-CB 3.4Å; R94-Y97 PolarHBondContact O-N 3.42Å; R94-Y97 VanDerWaalsContact O-N 3.08Å; R94-D98 VanDerWaalsContact O-CG 3.23Å; R94-D98 PolarHBondContact O-N 2.88Å; R94-R111 PolarHBondContact NH2-O 3.24Å; R94-A112 HydrophobicContact CG-CB 4.1Å; R94-A112 WeakPolarHBondContact CG-O 3.44Å; R94-A112 PolarHBondContact NE-O 3.49Å
95Y92.8Very high92.2Very high82 Ų8257.1 Ų57.132%0.32231%0.308SS..Hα-helixtrans-58.8-43.8179.5-178.8-113.6000112.8F18 L20 G91 N92 Y97 D98 E99F18-Y95 HydrophobicContact CB-CD1 3.44Å; F18-Y95 VanDerWaalsContact CB-CD1 3.44Å; F18-Y95 HydrophobicContact CB-CE1 3.86Å; F18-Y95 HydrophobicContact CB-CG 3.92Å; F18-Y95 HydrophobicContact CG-CD1 4.32Å; F18-Y95 HydrophobicContact CG-CG 4.34Å; L20-Y95 HydrophobicContact CD1-CE1 4.45Å; L20-Y95 HydrophobicContact CD2-CD1 3.73Å; L20-Y95 HydrophobicContact CD2-CE1 3.39Å; L20-Y95 HydrophobicContact CG-CE1 3.79Å; G91-Y95 PolarHBondContact O-N 2.95Å; N92-Y95 PolarHBondContact O-N 2.82Å; Y95-Y97 VanDerWaalsContact C-N 3.32Å; Y95-Y97 PolarHBondContact O-N 3.08Å; Y95-D98 PolarHBondContact O-N 3.37Å; Y95-E99 HydrophobicContact CE2-CG 4.14Å; Y95-E99 VanDerWaalsContact O-CG 3.27Å; Y95-E99 WeakPolarHBondContact O-CG 3.45Å; Y95-E99 PolarHBondContact O-N 3.25Å; Y95-E99 PolarHBondContact OH-OE1 3.44Å
96I93.4Very high92Very high0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-66.7-35.6176.7-65.9166.9000111.5L20 P21 I27 L88 N92 I93 R94 G100 L101 W102L20-I96 HydrophobicContact CD2-CG1 4.3Å; P21-I96 HydrophobicContact CG-CG2 4.36Å; I27-I96 HydrophobicContact CD1-CD1 4.47Å; I27-I96 HydrophobicContact CD1-CG2 3.94Å; L88-I96 HydrophobicContact CD1-CD1 4.03Å; L88-I96 HydrophobicContact CD2-CD1 3.75Å; N92-I96 VanDerWaalsContact O-CG1 3.29Å; N92-I96 WeakPolarHBondContact O-CG1 3.33Å; N92-I96 PolarHBondContact O-N 3.32Å; I93-I96 PolarHBondContact O-N 3.49Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 2.89Å; I96-G100 PolarHBondContact O-N 3.36Å; I96-L101 HydrophobicContact CG2-CB 4.07Å; I96-L101 PolarHBondContact O-N 3.1Å; I96-L101 VanDerWaalsContact O-N 3.09Å; I96-W102 HydrophobicContact CB-CE3 4.44Å; I96-W102 HydrophobicContact CG2-CB 4.38Å; I96-W102 HydrophobicContact CG2-CE3 4.01Å
97Y91.8Very high91.7Very high103 Ų10356.1 Ų56.140%0.40432%0.315SS..Hα-helixtrans-67.9-45177.5-178.9-98.8000112.2I93 R94 Y95 E99 G100 W102 L108I93-Y97 VanDerWaalsContact O-CB 3.29Å; I93-Y97 WeakPolarHBondContact O-CB 3.29Å; I93-Y97 PolarHBondContact O-N 3.33Å; R94-Y97 WeakPolarHBondContact O-CB 3.4Å; R94-Y97 PolarHBondContact O-N 3.42Å; R94-Y97 VanDerWaalsContact O-N 3.08Å; Y95-Y97 VanDerWaalsContact C-N 3.32Å; Y95-Y97 PolarHBondContact O-N 3.08Å; Y97-E99 PolarHBondContact O-N 2.98Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 3.17Å; Y97-W102 HydrophobicContact CD2-CB 3.99Å; Y97-W102 HydrophobicContact CD2-CG 4.26Å; Y97-L108 HydrophobicContact CD1-CD2 4.09Å; Y97-L108 HydrophobicContact CD2-CD1 3.75Å; Y97-L108 HydrophobicContact CD2-CD2 3.62Å; Y97-L108 HydrophobicContact CD2-CG 4.1Å; Y97-L108 HydrophobicContact CE1-CD2 4.17Å; Y97-L108 HydrophobicContact CE2-CD1 3.64Å; Y97-L108 HydrophobicContact CE2-CD2 3.73Å; Y97-L108 HydrophobicContact CE2-CG 4.28Å; Y97-L108 HydrophobicContact CG-CD2 3.79Å
98D91.7Very high91.3Very high126 Ų12658.2 Ų58.267%0.67433%0.325SS*.Hα-helixtrans-63.4-33.1178.7-65.4-20.1000111.6R94 Y95 G100R94-D98 VanDerWaalsContact O-CG 3.23Å; R94-D98 PolarHBondContact O-N 2.88Å; Y95-D98 PolarHBondContact O-N 3.37Å; D98-G100 PolarHBondContact O-N 3.35Å
99E92.7Very high90.5Very high102 Ų10259.5 Ų59.548%0.47734%0.335SS..THydrogen-bonded Turntrans-79.1-2.6174.3-65.6-82.3178.600113L20 Y95 Y97 L101L20-E99 HydrophobicContact CD1-CG 4.34Å; L20-E99 HydrophobicContact CD2-CB 4Å; L20-E99 HydrophobicContact CD2-CG 3.85Å; Y95-E99 HydrophobicContact CE2-CG 4.14Å; Y95-E99 VanDerWaalsContact O-CG 3.27Å; Y95-E99 WeakPolarHBondContact O-CG 3.45Å; Y95-E99 PolarHBondContact O-N 3.25Å; Y95-E99 PolarHBondContact OH-OE1 3.44Å; Y97-E99 PolarHBondContact O-N 2.98Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.95Å
100G91.2Very high89.7Confident63 Ų6368.5 Ų68.565%0.64936%0.364SS*.THydrogen-bonded Turntrans74.115.3175.700000115.2I96 Y97 D98I96-G100 PolarHBondContact O-N 3.36Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 3.17Å; D98-G100 PolarHBondContact O-N 3.35Å
101L91.8Very high88.9Confident84 Ų8475 Ų7544%0.4439%0.385SS..  trans-98.78.4-177.6-63.8175.7000113.2L20 P21 I96 E99L20-L101 HydrophobicContact CB-CD1 4.07Å; L20-L101 HydrophobicContact CD1-CD1 4.35Å; L20-L101 HydrophobicContact CD2-CD1 4.31Å; L20-L101 HydrophobicContact CG-CD1 4.47Å; P21-L101 HydrophobicContact CG-CB 3.81Å; P21-L101 HydrophobicContact CG-CD1 4.13Å; I96-L101 HydrophobicContact CG2-CB 4.07Å; I96-L101 PolarHBondContact O-N 3.1Å; I96-L101 VanDerWaalsContact O-N 3.09Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.95Å
102W92.5Very high88Confident25 Ų2573.4 Ų73.410%0.09537%0.368CS..SBendtrans-82.3127.4178.3-171.7-96.4000111.4I27 Y68 L88 I93 I96 Y97 S104 F106I27-W102 HydrophobicContact CD1-CE3 3.97Å; I27-W102 HydrophobicContact CD1-CZ3 4.13Å; I27-W102 HydrophobicContact CG2-CH2 4.38Å; I27-W102 HydrophobicContact CG2-CZ3 4.25Å; Y68-W102 AromaticContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CZ2 4.06Å; Y68-W102 AromaticContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CZ2 4.25Å; Y68-W102 HydrophobicContact CE1-CH2 4.3Å; Y68-W102 HydrophobicContact CE1-CZ2 4.05Å; Y68-W102 HydrophobicContact CE2-CH2 4.35Å; Y68-W102 HydrophobicContact CE2-CZ2 4.25Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.16Å; L88-W102 HydrophobicContact CD1-CZ3 4.17Å; I93-W102 HydrophobicContact CB-CH2 4.43Å; I93-W102 HydrophobicContact CB-CZ3 4.21Å; I93-W102 HydrophobicContact CD1-CH2 4.25Å; I93-W102 HydrophobicContact CG1-CH2 3.95Å; I93-W102 HydrophobicContact CG1-CZ3 3.9Å; I93-W102 HydrophobicContact CG2-CD2 4.45Å; I93-W102 HydrophobicContact CG2-CE3 4.09Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 4.15Å; I93-W102 HydrophobicContact CG2-CZ3 3.75Å; I96-W102 HydrophobicContact CB-CE3 4.44Å; I96-W102 HydrophobicContact CG2-CB 4.38Å; I96-W102 HydrophobicContact CG2-CE3 4.01Å; Y97-W102 HydrophobicContact CD2-CB 3.99Å; Y97-W102 HydrophobicContact CD2-CG 4.26Å; W102-S104 PolarHBondContact O-N 3.36Å; W102-F106 HydrophobicContact CZ2-CB 3.92Å; W102-F106 PolarHBondContact NE1-O 3.46Å
103P90.6Very high86.7Confident19 Ų1974.6 Ų74.612%0.12338%0.378CS..  trans-68.5130.5179.729.1-37.1000111I27 E44 V105 F106I27-P103 HydrophobicContact CB-CG 4.39Å; E44-P103 HydrophobicContact CB-CB 4.48Å; P103-V105 PolarHBondContact O-N 3.1Å; P103-V105 VanDerWaalsContact O-N 3.12Å; P103-F106 HydrophobicContact CB-CD2 4.35Å; P103-F106 HydrophobicContact CG-CB 4.48Å; P103-F106 HydrophobicContact CG-CD2 3.35Å; P103-F106 HydrophobicContact CG-CE2 3.85Å; P103-F106 HydrophobicContact CG-CG 4.25Å; P103-F106 PolarHBondContact O-N 3.42Å; P103-F106 VanDerWaalsContact O-N 3.13Å
104S88.6Confident85.1Confident123 Ų12378.7 Ų78.786%0.8641%0.406SS*.THydrogen-bonded Turntrans-62.3-21.3-178.356.90000114.1W102 F106W102-S104 PolarHBondContact O-N 3.36Å; S104-F106 VanDerWaalsContact C-N 3.26Å; S104-F106 PolarHBondContact O-N 3.25Å
105V90.8Very high83.7Confident92 Ų9282 Ų8256%0.55842%0.423SS*.THydrogen-bonded Turntrans-67.3-27.2178.6-175.30000111.8P103P103-V105 PolarHBondContact O-N 3.1Å; P103-V105 VanDerWaalsContact O-N 3.12Å
106F90.9Very high82Confident8 Ų883.5 Ų83.54%0.03544%0.442CS..SBendtrans-96.1124.2-178.5-65.1-38.6000112I27 R29 Y68 W102 P103 S104I27-F106 HydrophobicContact CG2-CD2 4.08Å; I27-F106 HydrophobicContact CG2-CE2 4.06Å; R29-F106 HydrophobicContact CB-CD1 4.32Å; R29-F106 HydrophobicContact CB-CE1 3.91Å; R29-F106 HydrophobicContact CB-CZ 4.27Å; Y68-F106 HydrophobicContact CD1-CD2 4.22Å; Y68-F106 HydrophobicContact CD1-CG 4.29Å; Y68-F106 HydrophobicContact CE1-CB 3.65Å; Y68-F106 HydrophobicContact CE1-CD1 4.03Å; Y68-F106 HydrophobicContact CE1-CD2 4.04Å; Y68-F106 AromaticContact CE1-CG 3.65Å; Y68-F106 HydrophobicContact CE1-CG 3.65Å; W102-F106 HydrophobicContact CZ2-CB 3.92Å; W102-F106 PolarHBondContact NE1-O 3.46Å; P103-F106 HydrophobicContact CB-CD2 4.35Å; P103-F106 HydrophobicContact CG-CB 4.48Å; P103-F106 HydrophobicContact CG-CD2 3.35Å; P103-F106 HydrophobicContact CG-CE2 3.85Å; P103-F106 HydrophobicContact CG-CG 4.25Å; P103-F106 PolarHBondContact O-N 3.42Å; P103-F106 VanDerWaalsContact O-N 3.13Å; S104-F106 VanDerWaalsContact C-N 3.26Å; S104-F106 PolarHBondContact O-N 3.25Å
107P87.3Confident79.9Confident81 Ų8192.7 Ų92.753%0.52649%0.485SS..PPolyproline II helixtrans-65.2140174.228.1-33.9000109.9Y68Y68-P107 PolarHBondContact OH-O 3.31Å
108L85.2Confident77.8Confident45 Ų4596.6 Ų96.624%0.23650%0.5CS..PPolyproline II helixtrans-66.1132.4171.5-82.873.9000108.6Y97 R110 A113Y97-L108 HydrophobicContact CD1-CD2 4.09Å; Y97-L108 HydrophobicContact CD2-CD1 3.75Å; Y97-L108 HydrophobicContact CD2-CD2 3.62Å; Y97-L108 HydrophobicContact CD2-CG 4.1Å; Y97-L108 HydrophobicContact CE1-CD2 4.17Å; Y97-L108 HydrophobicContact CE2-CD1 3.64Å; Y97-L108 HydrophobicContact CE2-CD2 3.73Å; Y97-L108 HydrophobicContact CE2-CG 4.28Å; Y97-L108 HydrophobicContact CG-CD2 3.79Å; L108-R110 PolarHBondContact O-N 2.93Å; L108-A113 HydrophobicContact CB-CB 4.38Å
109P78.5Confident75.6Confident34 Ų3495 Ų9522%0.22149%0.492CS..PPolyproline II helixtrans-60139.2171.519.3-22.5000108.5Y68 I93 R111 A112 A113Y68-P109 HydrophobicContact CE2-CG 4.29Å; I93-P109 HydrophobicContact CD1-CG 3.68Å; I93-P109 HydrophobicContact CG2-CG 4.37Å; P109-R111 PolarHBondContact O-N 3.02Å; P109-A112 HydrophobicContact CG-CB 3.66Å; P109-A112 WeakPolarHBondContact O-CA 3.48Å; P109-A112 PolarHBondContact O-N 3.39Å; P109-A113 PolarHBondContact O-N 2.95Å
110R74.5Confident73.9Confident244 Ų24495.3 Ų95.392%0.92150%0.496SS*.THydrogen-bonded Turntrans-51.9-29.5-175.8-67.7-173.7-179.4-147.80.9113.6L108L108-R110 PolarHBondContact O-N 2.93Å
111R75.6Confident72.4Confident195 Ų195100.2 Ų100.274%0.73650%0.502SS*.THydrogen-bonded Turntrans-75.4-32.4176.7-65.9-179-178.8173.2-1.5112.9D90 R94 P109D90-R111 HydrophobicContact CB-CB 4.47Å; D90-R111 WeakPolarHBondContact OD2-CB 3.21Å; D90-R111 WeakPolarHBondContact OD2-CD 3.35Å; R94-R111 PolarHBondContact NH2-O 3.24Å; P109-R111 PolarHBondContact O-N 3.02Å
112A72.5Confident70.8Confident1 Ų1104.4 Ų104.41%0.00852%0.519CS..THydrogen-bonded Turntrans-85.4-26.4176.500000112.6D90 I93 R94 P109D90-A112 HydrophobicContact CB-CB 4.33Å; I93-A112 HydrophobicContact CB-CB 4.02Å; I93-A112 HydrophobicContact CG2-CB 3.74Å; R94-A112 HydrophobicContact CG-CB 4.1Å; R94-A112 WeakPolarHBondContact CG-O 3.44Å; R94-A112 PolarHBondContact NE-O 3.49Å; P109-A112 HydrophobicContact CG-CB 3.66Å; P109-A112 WeakPolarHBondContact O-CA 3.48Å; P109-A112 PolarHBondContact O-N 3.39Å
113A63.1Low69.3Low30 Ų30110.2 Ų110.225%0.24855%0.552CS.*SBendtrans-52.9138.3176.600000111L108 P109 K115L108-A113 HydrophobicContact CB-CB 4.38Å; P109-A113 PolarHBondContact O-N 2.95Å; A113-K115 PolarHBondContact O-N 3.15Å
114P60.8Low67.7Low90 Ų90117.6 Ų117.658%0.58458%0.582SS**PPolyproline II helixtrans-56127.6169.723.9-31.3000107.4
115K60.6Low66.6Low176 Ų176116.6 Ų116.677%0.76557%0.573SS**PPolyproline II helixtrans-58.5132.7173.7-67.6176.7-178.2177.40106.3A113 E117A113-K115 PolarHBondContact O-N 3.15Å; K115-E117 PolarHBondContact O-N 3.21Å; K115-E117 VanDerWaalsContact O-N 3.1Å
116P57Low65.2Low112 Ų112118 Ų11873%0.72758%0.584SS**PPolyproline II helixtrans-55.8125.1167.125.6-31.8000106.6Y118P116-Y118 VanDerWaalsContact C-N 3.26Å; P116-Y118 PolarHBondContact O-N 2.7Å
117E50.2Low63.3Low193 Ų193123.1 Ų123.190%0.90262%0.621SS**  trans-58.199.5166.7-118.6171.2-177.600105.7K115 N119K115-E117 PolarHBondContact O-N 3.21Å; K115-E117 VanDerWaalsContact O-N 3.1Å; E117-N119 PolarHBondContact O-N 3.16Å; E117-N119 VanDerWaalsContact O-N 3.08Å
118Y46.9Very low61.7Low185 Ų185123.7 Ų123.773%0.72563%0.633SS**  trans-72.9101.617061.6-73.5000104.6P116 I120P116-Y118 VanDerWaalsContact C-N 3.26Å; P116-Y118 PolarHBondContact O-N 2.7Å; Y118-I120 VanDerWaalsContact C-N 3.3Å; Y118-I120 HydrophobicContact CD2-CG2 3.2Å; Y118-I120 HydrophobicContact CE2-CG2 3.2Å; Y118-I120 HydrophobicContact CG-CG2 4.43Å; Y118-I120 PolarHBondContact O-N 2.78Å
119N45.4Very low59.9Low94 Ų94126.3 Ų126.350%0.50366%0.655SS.*  trans-68.193.6172-169.717.3000107.6E117 E121 E122E117-N119 PolarHBondContact O-N 3.16Å; E117-N119 VanDerWaalsContact O-N 3.08Å; N119-E121 PolarHBondContact O-N 3.46Å; N119-E122 PolarHBondContact O-N 3.18Å
120I58.8Low58.7Low107 Ų107133.4 Ų133.455%0.54969%0.685SS.*THydrogen-bonded Turntrans-64.1-4.2178.449.1174.9000113.9Y118Y118-I120 VanDerWaalsContact C-N 3.3Å; Y118-I120 HydrophobicContact CD2-CG2 3.2Å; Y118-I120 HydrophobicContact CE2-CG2 3.2Å; Y118-I120 HydrophobicContact CG-CG2 4.43Å; Y118-I120 PolarHBondContact O-N 2.78Å
121E58.7Low57.3Low167 Ų167127.5 Ų127.578%0.7868%0.681SS**THydrogen-bonded Turntrans-82.9-13.6179.9-69.3-174.6156.900113.9N119N119-E121 PolarHBondContact O-N 3.46Å
122E59.5Low55.9Low171 Ų171122.7 Ų122.780%0.79968%0.677SS**SBendtrans-106-10.5-179.9-80.5-175.1122.400115.3N119N119-E122 PolarHBondContact O-N 3.18Å
123D60Low54.8Low147 Ų147127.6 Ų127.679%0.78671%0.712SS**SBendtrans-103.313.4-178.5-159.739.8000113.7P125D123-P125 VanDerWaalsContact O-CD 3.23Å; D123-P125 WeakPolarHBondContact O-CD 3.29Å
124F57.7Low54.4Low174 Ų174134.9 Ų134.976%0.76374%0.738SS**SBendtrans-81.3110.9165.7-104.8-92.4000108.9
125P65.8Low53.9Low102 Ų102137.9 Ų137.966%0.66274%0.744SS**  trans-60.7136.6173.126-33.1000108.5D123 S127D123-P125 VanDerWaalsContact O-CD 3.23Å; D123-P125 WeakPolarHBondContact O-CD 3.29Å; P125-S127 PolarHBondContact O-N 3.29Å
126P60.3Low53.5Low122 Ų122138.1 Ų138.179%0.79275%0.748SS**  trans-59.6118.3173.925-31.9000107.6A128P126-A128 PolarHBondContact O-N 2.97Å
127S51.1Low53.4Low115 Ų115139.4 Ų139.480%0.80475%0.754SS**  trans-62.384.5171.9-172.90000108.6P125 S129P125-S127 PolarHBondContact O-N 3.29Å; S127-S129 VanDerWaalsContact C-N 3.28Å; S127-S129 PolarHBondContact O-N 3.19Å
128A53.8Low53.4Low94 Ų94136.5 Ų136.578%0.77775%0.751SS**  trans-86.977169.900000107.8P126 E130P126-A128 PolarHBondContact O-N 2.97Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.03Å; A128-E130 VanDerWaalsContact O-N 3.11Å
129S48.3Very low53.9Low100 Ų100133.6 Ų133.670%0.69976%0.758SS**  trans-72.186.2165.257.70000109.3S127S127-S129 VanDerWaalsContact C-N 3.28Å; S127-S129 PolarHBondContact O-N 3.19Å
130E52.2Low54.3Low183 Ų183134.7 Ų134.786%0.85576%0.764SS**  trans-158.8122.6154-83.9-148.794.100110.3A128A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.03Å; A128-E130 VanDerWaalsContact O-N 3.11Å
131S46.1Very low54Low119 Ų119135 Ų13583%0.83278%0.775SS**  trans67.5132.8151.3173.50000117.2
132S45.5Very low54Low95 Ų95134.1 Ų134.166%0.66477%0.772SS**  cis178.3139.5-2.7-172.70000104.1
133S49.2Very low53.8Low104 Ų104134.7 Ų134.773%0.72777%0.774SS**  trans67.6107.4144.6-55.90000120.3
134K54.4Low53.5Low182 Ų182133 Ų13379%0.79177%0.774SS**  122.6133.9103.1-165.7157.1-177.9175.20117.8
135E50.2Low53.4Low153 Ų153128.4 Ų128.472%0.71576%0.763SS**  trans79.596.9163.3-79.9165.2-16300116.9
136E53.6Low53Low182 Ų182131.6 Ų131.685%0.8577%0.769SS**  65.490.573.8-61.9-149.3146.400114.5
137T53.4Low52.9Low139 Ų139133.9 Ų133.985%0.85377%0.769SS**  trans-150.5123.6136.548.40000108.8
138P51.1Low53.2Low131 Ų131136.6 Ų136.685%0.85177%0.769SS**  trans-99.3115.216231.6-20.9000108.5
139S56.2Low53.2Low124 Ų124140.9 Ų140.987%0.86777%0.773SS**  trans-100.7104.1169.8-165.40000109.5
140D55.1Low53.6Low118 Ų118145.1 Ų145.163%0.63178%0.782SS**  trans-49135.1163.7-163.7-93000113.5
141S52.5Low53.6Low112 Ų112145 Ų14578%0.78378%0.782SS**  trans-176.683.5145.9-80.60000110.3
142E57.7Low54.2Low150 Ų150144.4 Ų144.470%0.70178%0.777SS**  16.4114.4125.2-40.4-688500115.7
143E55.2Low54.4Low183 Ų183148.2 Ų148.286%0.85579%0.785SS**  65.7110.278-164.2161.497.600115.1
144S54.1Low54.7Low111 Ų111148.5 Ų148.578%0.77678%0.782SS**  trans-164.296.1154.8-176.80000106.7
145S56.3Low54.8Low77 Ų77148.5 Ų148.554%0.53879%0.785SS.*  62.7103.699.3-75.70000113.2
146E56.9Low55Low169 Ų169149.1 Ų149.179%0.7979%0.788SS**  86.2123.798.3-73.5165.8135.900109.7
147E58.6Low54.9Low170 Ų170148 Ų14879%0.79479%0.788SS**  160.6150.895.4-78-178.7-176.500103.8
148E56.8Low54.8Low172 Ų172147.7 Ų147.780%0.80479%0.786SS**  cis-164.9153.9-0.1-106.2-176.4-179.700106.1
149E54.5Low54.6Low184 Ų184146.5 Ų146.586%0.8679%0.787SS**  trans-80.6142.7171.9-58.5179.1159.300109.9
150E56.6Low54.6Low190 Ų190146.4 Ų146.489%0.88879%0.787SS**  trans-148.3114.4146.1-86.4-134.9150.900110.8
151E52.3Low54.3Low180 Ų180145.6 Ų145.684%0.84179%0.79SS**  trans-78.6138.2160.9-63.9-173.1143.700109.2
152S58.3Low54.2Low106 Ų106145.3 Ų145.374%0.74179%0.788SS**  trans-14499.7167.7165.60000108.7
153E50.2Low54.1Low175 Ų175147.1 Ų147.182%0.81880%0.796SS**  trans-86.3132.7165.1-44.4-160.5152.600107.5
154T54.6Low53.9Low110 Ų110147 Ų14768%0.67580%0.796SS**  trans-144.6101.5164.8-440000109.1E156T154-E156 HydrophobicContact CG2-CG 4.06Å
155E55.6Low53.6Low182 Ų182148.3 Ų148.385%0.8580%0.8SS**  trans-75.5121159.6-63.2-89.8146.200107
156E55.4Low53.3Low167 Ų167150.2 Ų150.278%0.7881%0.813SS**  trans-123.1105162.2-74.7-156.6137.900109.8T154 T158T154-E156 HydrophobicContact CG2-CG 4.06Å; E156-T158 PolarHBondContact O-N 3.27Å
157D50.8Low53.3Low159 Ų159147.8 Ų147.885%0.8581%0.814SS**  trans-55.7121.8158.8-83.2-67.3000110.5
158T52Low52.9Low131 Ų131148.5 Ų148.580%0.80482%0.818SS**  trans-128.492.6159.348.60000109.9E156E156-T158 PolarHBondContact O-N 3.27Å
159A47.9Very low52.8Low107 Ų107149.5 Ų149.588%0.88482%0.822SS**  trans-73.7115.5159.400000108.6
160S54.2Low52.7Low122 Ų122146.1 Ų146.185%0.85382%0.819SS**  trans-125.4125.9161-166.60000110.3
161S49.3Very low52.8Low101 Ų101142.6 Ų142.671%0.70682%0.815SS**  trans-78.3165.3-177.7-177.50000112.4
162S51.6Low52.6Low106 Ų106137.7 Ų137.774%0.74181%0.813SS**  trans71.5138.3162.766.20000116
163E54Low52.6Low187 Ų187141 Ų14187%0.87482%0.82SS**  cis-146.3154.438.8-71.9-179.3115.200113
164E51.8Low52.9Low181 Ų181137.2 Ų137.285%0.84681%0.814SS**  trans-75.2138.4168-53.4-154.3123.300111.1
165T48.7Very low52.8Low139 Ų139140.5 Ų140.585%0.85382%0.822SS**  trans-144.7104.514952.60000109.8
166S49.9Very low53Low117 Ų117135.8 Ų135.882%0.81881%0.808SS**  trans-67.9135.1161.4-670000110.4
167S56.6Low52.9Low117 Ų117134.1 Ų134.182%0.81881%0.81SS**  trans-147.898.4150.9600000108.9
168E50.7Low53.2Low185 Ų185130.2 Ų130.286%0.86480%0.8SS**  trans-59.7133.2158.3-70.8177.186.400109.2
169Q54.5Low53.6Low193 Ų193130.3 Ų130.390%0.90280%0.8SS**  trans-139.988.8156.6-135.3173.1-2.200108.9
170S51.8Low53.8Low113 Ų113134.1 Ų134.179%0.7980%0.797SS**  trans-71.7122.8159.251.80000109.3
171S58.6Low53.9Low116 Ų116136.1 Ų136.181%0.81179%0.793SS**  trans-136.2102.6154.6600000107.8
172G48.9Very low54.4Low77 Ų77140.2 Ų140.279%0.79480%0.801SS**  trans-71.8144.8165.500000110.3
173I57.9Low54.7Low175 Ų175141.2 Ų141.290%0.89780%0.798SS**  trans-132.5113.8152.1-121.2156000106.5
174S55.8Low55.2Low97 Ų97138.1 Ų138.168%0.67880%0.797SS**  trans-91.9174172.445.30000110.1
175E53.9Low55.9Low179 Ų179134 Ų13484%0.83679%0.788SS**  trans77.4134.2170.3-79.717470.700115.5
176S58.2Low56.8Low82 Ų82136.1 Ų136.157%0.57379%0.788SS**  cis177.8146.9639.70000107.5
177T53.7Low57.6Low132 Ų132139 Ų13981%0.8179%0.786SS**  trans51.5139.7137.461.80000119.5
178A57.9Low58Low78 Ų78138.6 Ų138.665%0.64578%0.782SS**  cis176.9162.818.100000108.3
179T59.2Low58.8Low132 Ų132134.4 Ų134.481%0.8177%0.773SS**  trans55.9109.2147.353.50000118.8
180K52.5Low59.3Low187 Ų187134.7 Ų134.781%0.81380%0.796SS**  60.3132.468.7-145.3-170.2-175.9-1690114.2
181E57.3Low59.6Low165 Ų165135.8 Ų135.877%0.77180%0.797SS**  trans85.3136.6174.8-56-179.2161.600112.6
182E59.7Low59.7Low186 Ų186136.8 Ų136.887%0.86980%0.796SS**  cis-163.7168.133-138.6174150.300111.4
183D56.3Low60.3Low127 Ų127140.1 Ų140.168%0.67980%0.796SS**  trans-55.8148.9-178.3-173.3-175.4000116S185D183-S185 PolarHBondContact OD2-N 3.43Å; D183-S185 PolarHBondContact OD2-OG 3.24Å
184S64.8Low60.4Low122 Ų122138.1 Ų138.185%0.85379%0.79SS**  trans-151.394.9151.2-137.20000112.1
185S66.1Low60.7Low94 Ų94140.6 Ų140.666%0.65780%0.797SS**  trans-60.5133.7161.8-65.10000112.6D183D183-S185 PolarHBondContact OD2-N 3.43Å; D183-S185 PolarHBondContact OD2-OG 3.24Å
186Q68.4Low61.2Low185 Ų185138.1 Ų138.186%0.86479%0.794SS**  trans-157.6136.3149.9-113.2177.9-35.600109.5
187K66.4Low61.4Low176 Ų176142.1 Ų142.177%0.76581%0.81SS**  cis171.3126-19.6-174.5167.8-170.5-178.60104.3
188C66.3Low62Low109 Ų109142.8 Ų142.874%0.73681%0.81SS**  trans60.3153.2149.5-670000119.6
189S67.1Low62.3Low98 Ų98148.3 Ų148.369%0.68582%0.824SS**  cis-176.8152.7-8.7-94.80000106.2
190S63.6Low62.6Low198 Ų198149.7 Ų149.7100%1.38583%0.825SS**  trans72.10159.9-68.30000119.1

Retrieved 190 of 190 residues in 454.8 ms (Link to these results)